1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene

C149H192Cl7F2NO — CID 160970451

IUPAC1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene
SMILESCCC1CCC(c2ccccc2)CC1.CCC1CCCCC1.CCC1CCN(c2ccccc2)CC1.CCCc1ccc(C(C)(C)C)cc1.CCCc1ccc(C(C)C)cc1.CCCc1ccc(Cl)c(Cl)c1.CCCc1ccc(OC)c(Cl)c1.CCCc1ccccc1.CCc1ccc(-c2ccccc2)cc1.CCc1ccc(C)c(F)c1.CCc1ccc(Cl)c(Cl)c1.CCc1ccc(Cl)cc1.CCc1ccc(F)c(Cl)c1.CCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C14H14.C14H20.C14H14.C13H19N.C13H20.C12H18.C10H13ClO.C9H10Cl2.C9H11F.C9H12.C8H8Cl2.C8H8ClF.C8H9Cl.C8H16/c1-2-12-7-6-10-14(11-12)13-8-4-3-5-9-13;3*1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-5-6-11-7-9-12(10-8-11)13(2,3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-3-4-8-5-6-10(12-2)9(11)7-8;1-2-3-7-4-5-8(10)9(11)6-7;1-3-8-5-4-7(2)9(10)6-8;1-2-6-9-7-4-3-5-8-9;1-2-6-3-4-7(9)8(10)5-6;1-2-6-3-4-8(10)7(9)5-6;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h3-11H,2H2,1H3;3-7,12,14H,2,8-11H2,1H3;3-11H,2H2,1H3;3-7,12H,2,8-11H2,1H3;7-10H,5-6H2,1-4H3;6-10H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;4-6H,2-3H2,1H3;4-6H,3H2,1-2H3;3-5,7-8H,2,6H2,1H3;2*3-5H,2H2,1H3;3-6H,2H2,1H3;8H,2-7H2,1H3
InChIKeySYELMCHLBUPAMW-UHFFFAOYSA-N
MW2299.35 g/mol
LogP48.27
Rot. Bonds25

About 1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene

1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene (PubChem CID 160970451) has the molecular formula C149H192Cl7F2NO and a molecular weight of 2299.35 g/mol. Its IUPAC name is 1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene
PubChem CID160970451
Molecular FormulaC149H192Cl7F2NO
Molecular Weight2299.35 g/mol
Exact Mass2294.28
IUPAC Name1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene
SMILESCCC1CCC(c2ccccc2)CC1.CCC1CCCCC1.CCC1CCN(c2ccccc2)CC1.CCCc1ccc(C(C)(C)C)cc1.CCCc1ccc(C(C)C)cc1.CCCc1ccc(Cl)c(Cl)c1.CCCc1ccc(OC)c(Cl)c1.CCCc1ccccc1.CCc1ccc(-c2ccccc2)cc1.CCc1ccc(C)c(F)c1.CCc1ccc(Cl)c(Cl)c1.CCc1ccc(Cl)cc1.CCc1ccc(F)c(Cl)c1.CCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C14H14.C14H20.C14H14.C13H19N.C13H20.C12H18.C10H13ClO.C9H10Cl2.C9H11F.C9H12.C8H8Cl2.C8H8ClF.C8H9Cl.C8H16/c1-2-12-7-6-10-14(11-12)13-8-4-3-5-9-13;3*1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-5-6-11-7-9-12(10-8-11)13(2,3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-3-4-8-5-6-10(12-2)9(11)7-8;1-2-3-7-4-5-8(10)9(11)6-7;1-3-8-5-4-7(2)9(10)6-8;1-2-6-9-7-4-3-5-8-9;1-2-6-3-4-7(9)8(10)5-6;1-2-6-3-4-8(10)7(9)5-6;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h3-11H,2H2,1H3;3-7,12,14H,2,8-11H2,1H3;3-11H,2H2,1H3;3-7,12H,2,8-11H2,1H3;7-10H,5-6H2,1-4H3;6-10H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;4-6H,2-3H2,1H3;4-6H,3H2,1-2H3;3-5,7-8H,2,6H2,1H3;2*3-5H,2H2,1H3;3-6H,2H2,1H3;8H,2-7H2,1H3
InChIKeySYELMCHLBUPAMW-UHFFFAOYSA-N
XLogP48.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002299.35
LogP ≤ 548.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene?
The IUPAC name of 1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene (CID 160970451) is 1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene.
What is the SMILES notation for 1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene?
The canonical SMILES for 1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene is CCC1CCC(c2ccccc2)CC1.CCC1CCCCC1.CCC1CCN(c2ccccc2)CC1.CCCc1ccc(C(C)(C)C)cc1.CCCc1ccc(C(C)C)cc1.CCCc1ccc(Cl)c(Cl)c1.CCCc1ccc(OC)c(Cl)c1.CCCc1ccccc1.CCc1ccc(-c2ccccc2)cc1.CCc1ccc(C)c(F)c1.CCc1ccc(Cl)c(Cl)c1.CCc1ccc(Cl)cc1.CCc1ccc(F)c(Cl)c1.CCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene?
The InChIKey is SYELMCHLBUPAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C14H20.C14H14.C13H19N.C13H20.C12H18.C10H13ClO.C9H10Cl2.C9H11F.C9H12.C8H8Cl2.C8H8ClF.C8H9Cl.C8H16/c1-2-12-7-6-10-14(11-12)13-8-4-3-5-9-13;3*1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-5-6-11-7-9-12(10-8-11)13(2,3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-3-4-8-5-6-10(12-2)9(11)7-8;1-2-3-7-4-5-8(10)9(11)6-7;1-3-8-5-4-7(2)9(10)6-8;1-2-6-9-7-4-3-5-8-9;1-2-6-3-4-7(9)8(10)5-6;1-2-6-3-4-8(10)7(9)5-6;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8/h3-11H,2H2,1H3;3-7,12,14H,2,8-11H2,1H3;3-11H,2H2,1H3;3-7,12H,2,8-11H2,1H3;7-10H,5-6H2,1-4H3;6-10H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;4-6H,2-3H2,1H3;4-6H,3H2,1-2H3;3-5,7-8H,2,6H2,1H3;2*3-5H,2H2,1H3;3-6H,2H2,1H3;8H,2-7H2,1H3.
What are the key properties of 1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene?
1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene has a molecular weight of 2299.35 g/mol, XLogP of 48.27, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propylbenzene;1-chloro-4-ethylbenzene;2-chloro-4-ethyl-1-fluorobenzene;2-chloro-1-methoxy-4-propylbenzene;1,2-dichloro-4-ethylbenzene;1,2-dichloro-4-propylbenzene;ethylcyclohexane;(4-ethylcyclohexyl)benzene;4-ethyl-2-fluoro-1-methylbenzene;1-ethyl-3-phenylbenzene;1-ethyl-4-phenylbenzene;4-ethyl-1-phenylpiperidine;1-propan-2-yl-4-propylbenzene;propylbenzene is sourced from PubChem (CID 160970451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).