(2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol

C14H17ClO2 — CID 106651584

IUPAC(2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol
SMILESCOc1cccc(Cl)c1C(O)C1=CCCCC1
InChIInChI=1S/C14H17ClO2/c1-17-12-9-5-8-11(15)13(12)14(16)10-6-3-2-4-7-10/h5-6,8-9,14,16H,2-4,7H2,1H3
InChIKeyPOGSGBRECPXZNV-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.88
Rot. Bonds3

About (2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol

(2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol (PubChem CID 106651584) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol
PubChem CID106651584
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name(2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol
SMILESCOc1cccc(Cl)c1C(O)C1=CCCCC1
InChIInChI=1S/C14H17ClO2/c1-17-12-9-5-8-11(15)13(12)14(16)10-6-3-2-4-7-10/h5-6,8-9,14,16H,2-4,7H2,1H3
InChIKeyPOGSGBRECPXZNV-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

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CID 63427509
(4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol
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cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol
CID 106651325
cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433627
(2-chloro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanol
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[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
CID 106651011
(2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 104817019
[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol
CID 106657566
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
(2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol
CID 102829422
(2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 104817396

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol?
The IUPAC name of (2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol (CID 106651584) is (2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol is COc1cccc(Cl)c1C(O)C1=CCCCC1.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol?
The InChIKey is POGSGBRECPXZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-17-12-9-5-8-11(15)13(12)14(16)10-6-3-2-4-7-10/h5-6,8-9,14,16H,2-4,7H2,1H3.
What are the key properties of (2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol?
(2-chloro-6-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 (2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol is sourced from PubChem (CID 106651584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).