2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene

C26H35ClO — CID 173349932

IUPAC2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene
SMILESCCCCCCOc1ccc(-c2ccc(CCC3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C26H35ClO/c1-2-3-4-8-19-28-26-18-17-24(20-25(26)27)23-15-13-22(14-16-23)12-11-21-9-6-5-7-10-21/h13-18,20-21H,2-12,19H2,1H3
InChIKeyQNDLSPUAKCZOMH-UHFFFAOYSA-N
MW399.02 g/mol
LogP8.48
Rot. Bonds10

About 2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene

2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene (PubChem CID 173349932) has the molecular formula C26H35ClO and a molecular weight of 399.02 g/mol. Its IUPAC name is 2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene.

Molecular Properties

Compound Name2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene
PubChem CID173349932
Molecular FormulaC26H35ClO
Molecular Weight399.02 g/mol
Exact Mass398.24
IUPAC Name2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene
SMILESCCCCCCOc1ccc(-c2ccc(CCC3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C26H35ClO/c1-2-3-4-8-19-28-26-18-17-24(20-25(26)27)23-15-13-22(14-16-23)12-11-21-9-6-5-7-10-21/h13-18,20-21H,2-12,19H2,1H3
InChIKeyQNDLSPUAKCZOMH-UHFFFAOYSA-N
XLogP8.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.02
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(2-cyclohexylethyl)phenyl]-2-octoxybenzonitrile
CID 173349880
1-(2-cyclohexylethyl)-4-(4-heptoxyphenyl)benzene
CID 173349748
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
CID 173349817
[4-[2-[4-(3-chloro-4-octoxyphenyl)phenyl]ethyl]cyclohexyl] (2S)-2-fluorohexanoate
CID 56623821
(2S)-6-[4-(3-chloro-4-octoxyphenyl)phenyl]-2-cyclohexyl-4-ethyl-2-fluorohexanoic acid
CID 70400294
[4-(2-cyclohexylethyl)phenyl] 3-fluoro-4-undecoxybenzoate
CID 173349952
1-decoxy-2,3-difluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 118374115
2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene
CID 173349803
[4-[2-[4-(3-chloro-4-methoxyphenyl)phenyl]ethyl]cyclohexyl] (2S)-2-fluorohexanoate
CID 56609631
2-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979
1-(8-cyclopentyloctoxy)-2-nonoxybenzene
CID 173313671
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene?
The IUPAC name of 2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene (CID 173349932) is 2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene.
What is the SMILES notation for 2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene?
The canonical SMILES for 2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene is CCCCCCOc1ccc(-c2ccc(CCC3CCCCC3)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene?
The InChIKey is QNDLSPUAKCZOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClO/c1-2-3-4-8-19-28-26-18-17-24(20-25(26)27)23-15-13-22(14-16-23)12-11-21-9-6-5-7-10-21/h13-18,20-21H,2-12,19H2,1H3.
What are the key properties of 2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene?
2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene has a molecular weight of 399.02 g/mol, XLogP of 8.48, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(2-cyclohexylethyl)phenyl]-1-hexoxybenzene is sourced from PubChem (CID 173349932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).