1-[(3-chlorophenyl)methyl]cycloheptan-1-ol

C14H19ClO — CID 60797404

IUPAC1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
SMILESOC1(Cc2cccc(Cl)c2)CCCCCC1
InChIInChI=1S/C14H19ClO/c15-13-7-5-6-12(10-13)11-14(16)8-3-1-2-4-9-14/h5-7,10,16H,1-4,8-9,11H2
InChIKeyXUENYINLGFBJCG-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.97
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]cycloheptan-1-ol

1-[(3-chlorophenyl)methyl]cycloheptan-1-ol (PubChem CID 60797404) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
PubChem CID60797404
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
SMILESOC1(Cc2cccc(Cl)c2)CCCCCC1
InChIInChI=1S/C14H19ClO/c15-13-7-5-6-12(10-13)11-14(16)8-3-1-2-4-9-14/h5-7,10,16H,1-4,8-9,11H2
InChIKeyXUENYINLGFBJCG-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
3-[(3-chlorophenyl)methyl]thietan-3-ol
CID 83689574
1-[(3-bromophenyl)methyl]cycloheptan-1-ol
CID 60797544
2-[(3-chlorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 60799487
4-[(3-chlorophenyl)methyl]-1-propylazepan-4-ol
CID 65077956
1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 112682618
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416
1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 82128067
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
N-[(3-chlorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430252
1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol
CID 143036793
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(3-chlorophenyl)methyl]cycloheptan-1-ol (CID 60797404) is 1-[(3-chlorophenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]cycloheptan-1-ol is OC1(Cc2cccc(Cl)c2)CCCCCC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]cycloheptan-1-ol?
The InChIKey is XUENYINLGFBJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c15-13-7-5-6-12(10-13)11-14(16)8-3-1-2-4-9-14/h5-7,10,16H,1-4,8-9,11H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]cycloheptan-1-ol?
1-[(3-chlorophenyl)methyl]cycloheptan-1-ol has a molecular weight of 238.76 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 60797404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).