4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol

C172H281F2N3O12 — CID 159518878

IUPAC4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol
SMILESCCCC(=O)c1cccc(CCC(O)(CCC)CCC)c1.CCCC(C)c1cccc(CCC(O)(CCC)CCC)c1.CCCC(F)c1cccc(CCC(O)(CCC)CCC)c1.CCCC(O)(CCC)CCc1cccc(CC(=O)CC)c1.CCCC(O)(CCC)CCc1cccc(CC(F)CC)c1.CCCC(O)(CCC)CCc1cccc(CC)c1.[H]/N=C(\C)CC(O)c1cccc(CCC(O)(CCC)CCC)c1.[H]/N=C(\C)CCCCc1cccc(CCC(O)(CCC)CCC)c1.[H]/N=C(\C)CCc1cccc(CCC(O)(CCC)CCC)c1
InChIInChI=1S/C21H35NO.C20H34O.2C19H31FO.C19H31NO2.C19H31NO.2C19H30O2.C17H28O/c1-4-14-21(23,15-5-2)16-13-20-12-8-11-19(17-20)10-7-6-9-18(3)22;1-5-9-17(4)19-11-8-10-18(16-19)12-15-20(21,13-6-2)14-7-3;1-4-11-19(21,12-5-2)13-10-16-8-7-9-17(14-16)15-18(20)6-3;1-4-8-18(20)17-10-7-9-16(15-17)11-14-19(21,12-5-2)13-6-3;1-4-10-19(22,11-5-2)12-9-16-7-6-8-17(14-16)18(21)13-15(3)20;1-4-12-19(21,13-5-2)14-11-18-8-6-7-17(15-18)10-9-16(3)20;1-4-11-19(21,12-5-2)13-10-16-8-7-9-17(14-16)15-18(20)6-3;1-4-8-18(20)17-10-7-9-16(15-17)11-14-19(21,12-5-2)13-6-3;1-4-11-17(18,12-5-2)13-10-16-9-7-8-15(6-3)14-16/h8,11-12,17,22-23H,4-7,9-10,13-16H2,1-3H3;8,10-11,16-17,21H,5-7,9,12-15H2,1-4H3;7-9,14,18,21H,4-6,10-13,15H2,1-3H3;7,9-10,15,18,21H,4-6,8,11-14H2,1-3H3;6-8,14,18,20-22H,4-5,9-13H2,1-3H3;6-8,15,20-21H,4-5,9-14H2,1-3H3;7-9,14,21H,4-6,10-13,15H2,1-3H3;7,9-10,15,21H,4-6,8,11-14H2,1-3H3;7-9,14,18H,4-6,10-13H2,1-3H3/b22-18+;;;;20-15+;20-16+;;;
InChIKeyMBNZOCBOMQFJFM-LRYWDOPVSA-N
MW2621.14 g/mol
LogP45.81
Rot. Bonds90

About 4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol

4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol (PubChem CID 159518878) has the molecular formula C172H281F2N3O12 and a molecular weight of 2621.14 g/mol. Its IUPAC name is 4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol.

Molecular Properties

Compound Name4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol
PubChem CID159518878
Molecular FormulaC172H281F2N3O12
Molecular Weight2621.14 g/mol
Exact Mass2619.14
IUPAC Name4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol
SMILESCCCC(=O)c1cccc(CCC(O)(CCC)CCC)c1.CCCC(C)c1cccc(CCC(O)(CCC)CCC)c1.CCCC(F)c1cccc(CCC(O)(CCC)CCC)c1.CCCC(O)(CCC)CCc1cccc(CC(=O)CC)c1.CCCC(O)(CCC)CCc1cccc(CC(F)CC)c1.CCCC(O)(CCC)CCc1cccc(CC)c1.[H]/N=C(\C)CC(O)c1cccc(CCC(O)(CCC)CCC)c1.[H]/N=C(\C)CCCCc1cccc(CCC(O)(CCC)CCC)c1.[H]/N=C(\C)CCc1cccc(CCC(O)(CCC)CCC)c1
InChIInChI=1S/C21H35NO.C20H34O.2C19H31FO.C19H31NO2.C19H31NO.2C19H30O2.C17H28O/c1-4-14-21(23,15-5-2)16-13-20-12-8-11-19(17-20)10-7-6-9-18(3)22;1-5-9-17(4)19-11-8-10-18(16-19)12-15-20(21,13-6-2)14-7-3;1-4-11-19(21,12-5-2)13-10-16-8-7-9-17(14-16)15-18(20)6-3;1-4-8-18(20)17-10-7-9-16(15-17)11-14-19(21,12-5-2)13-6-3;1-4-10-19(22,11-5-2)12-9-16-7-6-8-17(14-16)18(21)13-15(3)20;1-4-12-19(21,13-5-2)14-11-18-8-6-7-17(15-18)10-9-16(3)20;1-4-11-19(21,12-5-2)13-10-16-8-7-9-17(14-16)15-18(20)6-3;1-4-8-18(20)17-10-7-9-16(15-17)11-14-19(21,12-5-2)13-6-3;1-4-11-17(18,12-5-2)13-10-16-9-7-8-15(6-3)14-16/h8,11-12,17,22-23H,4-7,9-10,13-16H2,1-3H3;8,10-11,16-17,21H,5-7,9,12-15H2,1-4H3;7-9,14,18,21H,4-6,10-13,15H2,1-3H3;7,9-10,15,18,21H,4-6,8,11-14H2,1-3H3;6-8,14,18,20-22H,4-5,9-13H2,1-3H3;6-8,15,20-21H,4-5,9-14H2,1-3H3;7-9,14,21H,4-6,10-13,15H2,1-3H3;7,9-10,15,21H,4-6,8,11-14H2,1-3H3;7-9,14,18H,4-6,10-13H2,1-3H3/b22-18+;;;;20-15+;20-16+;;;
InChIKeyMBNZOCBOMQFJFM-LRYWDOPVSA-N
XLogP45.81
TPSA307.99 Ų
H-Bond Donors13
H-Bond Acceptors15
Rotatable Bonds90
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002621.14
LogP ≤ 545.81
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol?
The IUPAC name of 4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol (CID 159518878) is 4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol.
What is the SMILES notation for 4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol?
The canonical SMILES for 4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol is CCCC(=O)c1cccc(CCC(O)(CCC)CCC)c1.CCCC(C)c1cccc(CCC(O)(CCC)CCC)c1.CCCC(F)c1cccc(CCC(O)(CCC)CCC)c1.CCCC(O)(CCC)CCc1cccc(CC(=O)CC)c1.CCCC(O)(CCC)CCc1cccc(CC(F)CC)c1.CCCC(O)(CCC)CCc1cccc(CC)c1.[H]/N=C(\C)CC(O)c1cccc(CCC(O)(CCC)CCC)c1.[H]/N=C(\C)CCCCc1cccc(CCC(O)(CCC)CCC)c1.[H]/N=C(\C)CCc1cccc(CCC(O)(CCC)CCC)c1.
What is the InChIKey of 4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol?
The InChIKey is MBNZOCBOMQFJFM-LRYWDOPVSA-N. The full InChI is InChI=1S/C21H35NO.C20H34O.2C19H31FO.C19H31NO2.C19H31NO.2C19H30O2.C17H28O/c1-4-14-21(23,15-5-2)16-13-20-12-8-11-19(17-20)10-7-6-9-18(3)22;1-5-9-17(4)19-11-8-10-18(16-19)12-15-20(21,13-6-2)14-7-3;1-4-11-19(21,12-5-2)13-10-16-8-7-9-17(14-16)15-18(20)6-3;1-4-8-18(20)17-10-7-9-16(15-17)11-14-19(21,12-5-2)13-6-3;1-4-10-19(22,11-5-2)12-9-16-7-6-8-17(14-16)18(21)13-15(3)20;1-4-12-19(21,13-5-2)14-11-18-8-6-7-17(15-18)10-9-16(3)20;1-4-11-19(21,12-5-2)13-10-16-8-7-9-17(14-16)15-18(20)6-3;1-4-8-18(20)17-10-7-9-16(15-17)11-14-19(21,12-5-2)13-6-3;1-4-11-17(18,12-5-2)13-10-16-9-7-8-15(6-3)14-16/h8,11-12,17,22-23H,4-7,9-10,13-16H2,1-3H3;8,10-11,16-17,21H,5-7,9,12-15H2,1-4H3;7-9,14,18,21H,4-6,10-13,15H2,1-3H3;7,9-10,15,18,21H,4-6,8,11-14H2,1-3H3;6-8,14,18,20-22H,4-5,9-13H2,1-3H3;6-8,15,20-21H,4-5,9-14H2,1-3H3;7-9,14,21H,4-6,10-13,15H2,1-3H3;7,9-10,15,21H,4-6,8,11-14H2,1-3H3;7-9,14,18H,4-6,10-13H2,1-3H3/b22-18+;;;;20-15+;20-16+;;;.
What are the key properties of 4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol?
4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol has a molecular weight of 2621.14 g/mol, XLogP of 45.81, 90 rotatable bonds, 13 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethylphenyl)ethyl]heptan-4-ol;4-[2-[3-(1-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-fluorobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(1-hydroxy-3-iminobutyl)phenyl]ethyl]heptan-4-ol;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-1-one;1-[3-(3-hydroxy-3-propylhexyl)phenyl]butan-2-one;4-[2-[3-(3-iminobutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(5-iminohexyl)phenyl]ethyl]heptan-4-ol;4-[2-(3-pentan-2-ylphenyl)ethyl]heptan-4-ol is sourced from PubChem (CID 159518878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).