1-[(2-chlorophenyl)methyl]cycloheptan-1-ol

C14H19ClO — CID 60797945

IUPAC1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
SMILESOC1(Cc2ccccc2Cl)CCCCCC1
InChIInChI=1S/C14H19ClO/c15-13-8-4-3-7-12(13)11-14(16)9-5-1-2-6-10-14/h3-4,7-8,16H,1-2,5-6,9-11H2
InChIKeyWMVOWLVEDAHHEO-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.97
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]cycloheptan-1-ol

1-[(2-chlorophenyl)methyl]cycloheptan-1-ol (PubChem CID 60797945) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
PubChem CID60797945
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
SMILESOC1(Cc2ccccc2Cl)CCCCCC1
InChIInChI=1S/C14H19ClO/c15-13-8-4-3-7-12(13)11-14(16)9-5-1-2-6-10-14/h3-4,7-8,16H,1-2,5-6,9-11H2
InChIKeyWMVOWLVEDAHHEO-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

4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol
CID 65075284
3-[(2-chlorophenyl)methyl]thian-3-ol
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CID 59186648
4-[(2-chlorophenyl)methyl]-1-propan-2-ylazepan-4-ol
CID 65077723
1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090405
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
1-[[2-(sulfanylmethyl)phenyl]methyl]cyclopentan-1-ol
CID 10609086
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
1-[(2-chlorophenyl)methyl]-2-cyclohexylcyclohexan-1-ol
CID 60799193
1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66035565
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
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CID 102857061

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(2-chlorophenyl)methyl]cycloheptan-1-ol (CID 60797945) is 1-[(2-chlorophenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]cycloheptan-1-ol is OC1(Cc2ccccc2Cl)CCCCCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]cycloheptan-1-ol?
The InChIKey is WMVOWLVEDAHHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c15-13-8-4-3-7-12(13)11-14(16)9-5-1-2-6-10-14/h3-4,7-8,16H,1-2,5-6,9-11H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]cycloheptan-1-ol?
1-[(2-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-[(2-chlorophenyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 60797945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).