1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol

C16H23ClO — CID 107562179

IUPAC1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
SMILESCc1ccc(C(O)CC2CCCCCC2)cc1Cl
InChIInChI=1S/C16H23ClO/c1-12-8-9-14(11-15(12)17)16(18)10-13-6-4-2-3-5-7-13/h8-9,11,13,16,18H,2-7,10H2,1H3
InChIKeyHQLFCCNMWAKUFP-UHFFFAOYSA-N
MW266.81 g/mol
LogP5.04
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol

1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol (PubChem CID 107562179) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
PubChem CID107562179
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
SMILESCc1ccc(C(O)CC2CCCCCC2)cc1Cl
InChIInChI=1S/C16H23ClO/c1-12-8-9-14(11-15(12)17)16(18)10-13-6-4-2-3-5-7-13/h8-9,11,13,16,18H,2-7,10H2,1H3
InChIKeyHQLFCCNMWAKUFP-UHFFFAOYSA-N
XLogP5.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.81
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 63426977
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1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol
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1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
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2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 55095037
1-(4-bromo-3-methylphenyl)-2-cyclohexylethanol
CID 81447995
[1-(3-chloro-4-methylphenyl)-2-cyclobutylethyl]hydrazine
CID 105310083
1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol
CID 103216838
2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol
CID 114458561
(1R,2S)-2-amino-2-(3-chloro-4-methylphenyl)-1-cyclohexylethanol
CID 171267974
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008
(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171204433

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol (CID 107562179) is 1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol is Cc1ccc(C(O)CC2CCCCCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol?
The InChIKey is HQLFCCNMWAKUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-12-8-9-14(11-15(12)17)16(18)10-13-6-4-2-3-5-7-13/h8-9,11,13,16,18H,2-7,10H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol?
1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol has a molecular weight of 266.81 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol is sourced from PubChem (CID 107562179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).