1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene

C24H31Cl — CID 146415253

IUPAC1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene
SMILESCCCc1ccc(Cc2cc(C3CC(C)CC(C)C3)ccc2Cl)cc1
InChIInChI=1S/C24H31Cl/c1-4-5-19-6-8-20(9-7-19)15-23-16-21(10-11-24(23)25)22-13-17(2)12-18(3)14-22/h6-11,16-18,22H,4-5,12-15H2,1-3H3
InChIKeyAZDXWJGIHYRLGI-UHFFFAOYSA-N
MW354.97 g/mol
LogP7.42
Rot. Bonds5

About 1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene

1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene (PubChem CID 146415253) has the molecular formula C24H31Cl and a molecular weight of 354.97 g/mol. Its IUPAC name is 1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene
PubChem CID146415253
Molecular FormulaC24H31Cl
Molecular Weight354.97 g/mol
Exact Mass354.21
IUPAC Name1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene
SMILESCCCc1ccc(Cc2cc(C3CC(C)CC(C)C3)ccc2Cl)cc1
InChIInChI=1S/C24H31Cl/c1-4-5-19-6-8-20(9-7-19)15-23-16-21(10-11-24(23)25)22-13-17(2)12-18(3)14-22/h6-11,16-18,22H,4-5,12-15H2,1-3H3
InChIKeyAZDXWJGIHYRLGI-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.97
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-chloro-3-[(4-propylphenyl)methyl]phenyl]-5-(hydroxymethyl)cyclohexan-1-ol
CID 134484877
(4S,6R)-2-[4-chloro-3-[(4-ethylphenyl)methyl]phenyl]-4,6-dimethyloxane;ethene
CID 143898482
(5S,6R,7R,8S)-5-[4-chloro-3-[(4-propylphenyl)methyl]phenyl]-4-oxaspiro[2.5]octane-6,7,8-triol
CID 147438965
1-chloro-4-(5-ethyl-2,3-dimethylcyclohexyl)-2-[(4-heptylphenyl)methyl]benzene
CID 170020747
(2R,4S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,6-dimethyloxane;ethane
CID 143602313
(1S,2R,3R,4R,6S)-6-[4-chloro-3-[(4-ethylphenyl)methyl]phenyl]-4-deuterio-4-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 45107747
1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene
CID 162059670
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
[2-chloro-5-[3-hydroxy-5-(hydroxymethyl)cyclohexyl]phenyl]-(4-propylphenyl)methanediol
CID 143928541
2-(4-methylcyclohexyl)-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837511
acetylene;(2R,4S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol
CID 145480632
(1S,2R,3S,6S)-4-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanylcyclohexane-1,2,3-triol
CID 168843565

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene?
The IUPAC name of 1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene (CID 146415253) is 1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene.
What is the SMILES notation for 1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene?
The canonical SMILES for 1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene is CCCc1ccc(Cc2cc(C3CC(C)CC(C)C3)ccc2Cl)cc1.
What is the InChIKey of 1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene?
The InChIKey is AZDXWJGIHYRLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl/c1-4-5-19-6-8-20(9-7-19)15-23-16-21(10-11-24(23)25)22-13-17(2)12-18(3)14-22/h6-11,16-18,22H,4-5,12-15H2,1-3H3.
What are the key properties of 1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene?
1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene has a molecular weight of 354.97 g/mol, XLogP of 7.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene is sourced from PubChem (CID 146415253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).