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

C15H21ClO3 — CID 103452210

IUPAC1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol
SMILESCOc1cc(C(O)C2(O)CCCCCC2)ccc1Cl
InChIInChI=1S/C15H21ClO3/c1-19-13-10-11(6-7-12(13)16)14(17)15(18)8-4-2-3-5-9-15/h6-7,10,14,17-18H,2-5,8-9H2,1H3
InChIKeyASYQLPLRFKNCQO-UHFFFAOYSA-N
MW284.78 g/mol
LogP3.47
Rot. Bonds3

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

1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol (PubChem CID 103452210) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is 1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol
PubChem CID103452210
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Name1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol
SMILESCOc1cc(C(O)C2(O)CCCCCC2)ccc1Cl
InChIInChI=1S/C15H21ClO3/c1-19-13-10-11(6-7-12(13)16)14(17)15(18)8-4-2-3-5-9-15/h6-7,10,14,17-18H,2-5,8-9H2,1H3
InChIKeyASYQLPLRFKNCQO-UHFFFAOYSA-N
XLogP3.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-4-methylphenyl)-hydroxymethyl]cycloheptan-1-ol
CID 107560180
(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79697137
1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448377
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116755791
8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol
CID 114819278
(4-chloro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115818050
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 115818011
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
N-[(4-chloro-3-methoxyphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830322
1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448378
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol?
The IUPAC name of 1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol (CID 103452210) is 1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol is COc1cc(C(O)C2(O)CCCCCC2)ccc1Cl.
What is the InChIKey of 1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol?
The InChIKey is ASYQLPLRFKNCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-19-13-10-11(6-7-12(13)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-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol?
1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol has a molecular weight of 284.78 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol is sourced from PubChem (CID 103452210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).