1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene

C24H29ClO — CID 18656366

IUPAC1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene
SMILESCCOc1ccc(-c2ccc(CCC3CCC(/C=C/Cl)CC3)cc2)cc1
InChIInChI=1S/C24H29ClO/c1-2-26-24-15-13-23(14-16-24)22-11-9-20(10-12-22)4-3-19-5-7-21(8-6-19)17-18-25/h9-19,21H,2-8H2,1H3/b18-17+
InChIKeyLAVGOMHXTDOAPF-ISLYRVAYSA-N
MW368.95 g/mol
LogP7.24
Rot. Bonds7

About 1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene

1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene (PubChem CID 18656366) has the molecular formula C24H29ClO and a molecular weight of 368.95 g/mol. Its IUPAC name is 1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene.

Molecular Properties

Compound Name1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene
PubChem CID18656366
Molecular FormulaC24H29ClO
Molecular Weight368.95 g/mol
Exact Mass368.19
IUPAC Name1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene
SMILESCCOc1ccc(-c2ccc(CCC3CCC(/C=C/Cl)CC3)cc2)cc1
InChIInChI=1S/C24H29ClO/c1-2-26-24-15-13-23(14-16-24)22-11-9-20(10-12-22)4-3-19-5-7-21(8-6-19)17-18-25/h9-19,21H,2-8H2,1H3/b18-17+
InChIKeyLAVGOMHXTDOAPF-ISLYRVAYSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.95
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-[4-(2-chloroethenyl)cyclohexyl]ethyl]-4-(4-propoxyphenyl)benzene
CID 54432080
5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine
CID 18609094
1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18656204
CID 18984144
CID 18984144
5-ethoxy-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839968
1-[4-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607090
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416
1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 54416262
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene
CID 18656557
1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58699202
1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene
CID 19739072
1-(3-cyclohexylpropyl)-4-ethoxybenzene
CID 57232789

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene?
The IUPAC name of 1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene (CID 18656366) is 1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene.
What is the SMILES notation for 1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene?
The canonical SMILES for 1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene is CCOc1ccc(-c2ccc(CCC3CCC(/C=C/Cl)CC3)cc2)cc1.
What is the InChIKey of 1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene?
The InChIKey is LAVGOMHXTDOAPF-ISLYRVAYSA-N. The full InChI is InChI=1S/C24H29ClO/c1-2-26-24-15-13-23(14-16-24)22-11-9-20(10-12-22)4-3-19-5-7-21(8-6-19)17-18-25/h9-19,21H,2-8H2,1H3/b18-17+.
What are the key properties of 1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene?
1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene has a molecular weight of 368.95 g/mol, XLogP of 7.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene is sourced from PubChem (CID 18656366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).