(4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol

C14H17ClO2 — CID 62079642

IUPAC(4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol
SMILESCOc1cc(Cl)ccc1C(O)C1=CCCCC1
InChIInChI=1S/C14H17ClO2/c1-17-13-9-11(15)7-8-12(13)14(16)10-5-3-2-4-6-10/h5,7-9,14,16H,2-4,6H2,1H3
InChIKeyISEDHWHTUJJATM-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.88
Rot. Bonds3

About (4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol

(4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol (PubChem CID 62079642) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol
PubChem CID62079642
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name(4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol
SMILESCOc1cc(Cl)ccc1C(O)C1=CCCCC1
InChIInChI=1S/C14H17ClO2/c1-17-13-9-11(15)7-8-12(13)14(16)10-5-3-2-4-6-10/h5,7-9,14,16H,2-4,6H2,1H3
InChIKeyISEDHWHTUJJATM-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62077826
(4-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanol
CID 62079111
(5-chloro-2-methoxyphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656196
[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol
CID 106657566
(2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol
CID 106651584
N-[(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 62079394
(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 115821652
(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methanol
CID 106694120
(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115829313
(4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 63426444
(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol
CID 106657827
(4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol
CID 82773069

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol (CID 62079642) is (4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol is COc1cc(Cl)ccc1C(O)C1=CCCCC1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol?
The InChIKey is ISEDHWHTUJJATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-17-13-9-11(15)7-8-12(13)14(16)10-5-3-2-4-6-10/h5,7-9,14,16H,2-4,6H2,1H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol?
(4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol has a molecular weight of 252.74 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol is sourced from PubChem (CID 62079642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).