1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol

C20H23ClO2 — CID 143036793

IUPAC1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol
SMILESOC1(Cc2ccc(OCc3ccccc3)c(Cl)c2)CCCCC1
InChIInChI=1S/C20H23ClO2/c21-18-13-17(14-20(22)11-5-2-6-12-20)9-10-19(18)23-15-16-7-3-1-4-8-16/h1,3-4,7-10,13,22H,2,5-6,11-12,14-15H2
InChIKeyPFLMWXMLAWSNSF-UHFFFAOYSA-N
MW330.86 g/mol
LogP5.16
Rot. Bonds5

About 1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol

1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol (PubChem CID 143036793) has the molecular formula C20H23ClO2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol
PubChem CID143036793
Molecular FormulaC20H23ClO2
Molecular Weight330.86 g/mol
Exact Mass330.14
IUPAC Name1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol
SMILESOC1(Cc2ccc(OCc3ccccc3)c(Cl)c2)CCCCC1
InChIInChI=1S/C20H23ClO2/c21-18-13-17(14-20(22)11-5-2-6-12-20)9-10-19(18)23-15-16-7-3-1-4-8-16/h1,3-4,7-10,13,22H,2,5-6,11-12,14-15H2
InChIKeyPFLMWXMLAWSNSF-UHFFFAOYSA-N
XLogP5.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.86
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797404
4-[(2S)-2-(3-chloro-4-phenylmethoxyphenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid
CID 174506002
[1-(3-chloro-4-phenylmethoxyphenoxy)cyclohexyl] acetate
CID 90735176
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one
CID 58762761
1-[1-(3-chloro-4-phenylmethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
CID 11442112
(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone
CID 82550709
[1-[(2S)-2-(3-chloro-4-phenylmethoxyphenyl)-2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]carbamic acid
CID 68867022
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol (CID 143036793) is 1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol is OC1(Cc2ccc(OCc3ccccc3)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol?
The InChIKey is PFLMWXMLAWSNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClO2/c21-18-13-17(14-20(22)11-5-2-6-12-20)9-10-19(18)23-15-16-7-3-1-4-8-16/h1,3-4,7-10,13,22H,2,5-6,11-12,14-15H2.
What are the key properties of 1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol?
1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol has a molecular weight of 330.86 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 143036793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).