1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol

C154H196O10 — CID 158011051

IUPAC1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(O)CCc2ccc(C(C)(C)C)cc2)cc1.CC(C)c1ccc(C(O)CCc2ccccc2)cc1.CC(C)c1ccc(CCC(O)c2ccc(C(C)(C)C)cc2)cc1.CC(C)c1ccc(CCC(O)c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(CCC(O)c2ccccc2)cc1.COc1ccc(C(O)CCc2ccc(C(C)C)cc2)cc1.COc1ccc(CCC(O)c2ccc(C(C)C)cc2)cc1.OC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/2C22H30O.C21H28O.2C19H24O2.2C18H22O.C15H16O/c1-16(2)18-9-11-19(12-10-18)21(23)15-8-17-6-13-20(14-7-17)22(3,4)5;1-16(2)18-9-6-17(7-10-18)8-15-21(23)19-11-13-20(14-12-19)22(3,4)5;1-15(2)18-8-5-17(6-9-18)7-14-21(22)20-12-10-19(11-13-20)16(3)4;1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(21-3)12-5-15;1-14(2)16-7-4-15(5-8-16)6-13-19(20)17-9-11-18(21-3)12-10-17;1-14(2)16-9-11-17(12-10-16)18(19)13-8-15-6-4-3-5-7-15;1-14(2)16-11-8-15(9-12-16)10-13-18(19)17-6-4-3-5-7-17;16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2*6-7,9-14,16,21,23H,8,15H2,1-5H3;5-6,8-13,15-16,21-22H,7,14H2,1-4H3;2*4-5,7-12,14,19-20H,6,13H2,1-3H3;3-7,9-12,14,18-19H,8,13H2,1-2H3;3-9,11-12,14,18-19H,10,13H2,1-2H3;1-10,15-16H,11-12H2
InChIKeyFEWSBPGGEXKIEC-UHFFFAOYSA-N
MW2207.25 g/mol
LogP38.42
Rot. Bonds42

About 1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol

1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol (PubChem CID 158011051) has the molecular formula C154H196O10 and a molecular weight of 2207.25 g/mol. Its IUPAC name is 1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol
PubChem CID158011051
Molecular FormulaC154H196O10
Molecular Weight2207.25 g/mol
Exact Mass2205.48
IUPAC Name1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(O)CCc2ccc(C(C)(C)C)cc2)cc1.CC(C)c1ccc(C(O)CCc2ccccc2)cc1.CC(C)c1ccc(CCC(O)c2ccc(C(C)(C)C)cc2)cc1.CC(C)c1ccc(CCC(O)c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(CCC(O)c2ccccc2)cc1.COc1ccc(C(O)CCc2ccc(C(C)C)cc2)cc1.COc1ccc(CCC(O)c2ccc(C(C)C)cc2)cc1.OC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/2C22H30O.C21H28O.2C19H24O2.2C18H22O.C15H16O/c1-16(2)18-9-11-19(12-10-18)21(23)15-8-17-6-13-20(14-7-17)22(3,4)5;1-16(2)18-9-6-17(7-10-18)8-15-21(23)19-11-13-20(14-12-19)22(3,4)5;1-15(2)18-8-5-17(6-9-18)7-14-21(22)20-12-10-19(11-13-20)16(3)4;1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(21-3)12-5-15;1-14(2)16-7-4-15(5-8-16)6-13-19(20)17-9-11-18(21-3)12-10-17;1-14(2)16-9-11-17(12-10-16)18(19)13-8-15-6-4-3-5-7-15;1-14(2)16-11-8-15(9-12-16)10-13-18(19)17-6-4-3-5-7-17;16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2*6-7,9-14,16,21,23H,8,15H2,1-5H3;5-6,8-13,15-16,21-22H,7,14H2,1-4H3;2*4-5,7-12,14,19-20H,6,13H2,1-3H3;3-7,9-12,14,18-19H,8,13H2,1-2H3;3-9,11-12,14,18-19H,10,13H2,1-2H3;1-10,15-16H,11-12H2
InChIKeyFEWSBPGGEXKIEC-UHFFFAOYSA-N
XLogP38.42
TPSA180.30 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds42
Heavy Atoms164
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002207.25
LogP ≤ 538.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze 1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol (CID 158011051) is 1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol is CC(C)c1ccc(C(O)CCc2ccc(C(C)(C)C)cc2)cc1.CC(C)c1ccc(C(O)CCc2ccccc2)cc1.CC(C)c1ccc(CCC(O)c2ccc(C(C)(C)C)cc2)cc1.CC(C)c1ccc(CCC(O)c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(CCC(O)c2ccccc2)cc1.COc1ccc(C(O)CCc2ccc(C(C)C)cc2)cc1.COc1ccc(CCC(O)c2ccc(C(C)C)cc2)cc1.OC(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol?
The InChIKey is FEWSBPGGEXKIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H30O.C21H28O.2C19H24O2.2C18H22O.C15H16O/c1-16(2)18-9-11-19(12-10-18)21(23)15-8-17-6-13-20(14-7-17)22(3,4)5;1-16(2)18-9-6-17(7-10-18)8-15-21(23)19-11-13-20(14-12-19)22(3,4)5;1-15(2)18-8-5-17(6-9-18)7-14-21(22)20-12-10-19(11-13-20)16(3)4;1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(21-3)12-5-15;1-14(2)16-7-4-15(5-8-16)6-13-19(20)17-9-11-18(21-3)12-10-17;1-14(2)16-9-11-17(12-10-16)18(19)13-8-15-6-4-3-5-7-15;1-14(2)16-11-8-15(9-12-16)10-13-18(19)17-6-4-3-5-7-17;16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h2*6-7,9-14,16,21,23H,8,15H2,1-5H3;5-6,8-13,15-16,21-22H,7,14H2,1-4H3;2*4-5,7-12,14,19-20H,6,13H2,1-3H3;3-7,9-12,14,18-19H,8,13H2,1-2H3;3-9,11-12,14,18-19H,10,13H2,1-2H3;1-10,15-16H,11-12H2.
What are the key properties of 1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol?
1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol has a molecular weight of 2207.25 g/mol, XLogP of 38.42, 42 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 158011051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).