1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol

C15H21ClO2 — CID 107560180

IUPAC1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol
SMILESCc1ccc(C(O)C2(O)CCCCCC2)cc1Cl
InChIInChI=1S/C15H21ClO2/c1-11-6-7-12(10-13(11)16)14(17)15(18)8-4-2-3-5-9-15/h6-7,10,14,17-18H,2-5,8-9H2,1H3
InChIKeyLQIQLYVATWDZKA-UHFFFAOYSA-N
MW268.78 g/mol
LogP3.77
Rot. Bonds2

About 1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol

1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol (PubChem CID 107560180) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol
PubChem CID107560180
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol
SMILESCc1ccc(C(O)C2(O)CCCCCC2)cc1Cl
InChIInChI=1S/C15H21ClO2/c1-11-6-7-12(10-13(11)16)14(17)15(18)8-4-2-3-5-9-15/h6-7,10,14,17-18H,2-5,8-9H2,1H3
InChIKeyLQIQLYVATWDZKA-UHFFFAOYSA-N
XLogP3.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol
CID 103452210
1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol
CID 103451734
1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol
CID 59815118
(3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine
CID 107560263
1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
CID 107562179
(1R,2S)-2-amino-2-(3-chloro-4-methylphenyl)-1-cyclohexylethanol
CID 171267974
1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol
CID 103451727
1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448377
1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol
CID 103452040
(3-chloro-4-methylphenyl)-(1,1-dioxothian-2-yl)methanol
CID 107562253
1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 107513043
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol
CID 103452078

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol?
The IUPAC name of 1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol (CID 107560180) is 1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol is Cc1ccc(C(O)C2(O)CCCCCC2)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol?
The InChIKey is LQIQLYVATWDZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-11-6-7-12(10-13(11)16)14(17)15(18)8-4-2-3-5-9-15/h6-7,10,14,17-18H,2-5,8-9H2,1H3.
What are the key properties of 1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol?
1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol has a molecular weight of 268.78 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol is sourced from PubChem (CID 107560180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).