(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol

C16H23ClO3 — CID 82931298

IUPAC(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
SMILESCOc1cc(C(O)C2CCCCCC2)cc(Cl)c1OC
InChIInChI=1S/C16H23ClO3/c1-19-14-10-12(9-13(17)16(14)20-2)15(18)11-7-5-3-4-6-8-11/h9-11,15,18H,3-8H2,1-2H3
InChIKeyGXDZTWGQPMUAHZ-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.36
Rot. Bonds4

About (3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol

(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol (PubChem CID 82931298) has the molecular formula C16H23ClO3 and a molecular weight of 298.81 g/mol. Its IUPAC name is (3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol.

Molecular Properties

Compound Name(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
PubChem CID82931298
Molecular FormulaC16H23ClO3
Molecular Weight298.81 g/mol
Exact Mass298.13
IUPAC Name(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
SMILESCOc1cc(C(O)C2CCCCCC2)cc(Cl)c1OC
InChIInChI=1S/C16H23ClO3/c1-19-14-10-12(9-13(17)16(14)20-2)15(18)11-7-5-3-4-6-8-11/h9-11,15,18H,3-8H2,1-2H3
InChIKeyGXDZTWGQPMUAHZ-UHFFFAOYSA-N
XLogP4.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
CID 54878443
cyclohexyl-(3,4,5-trimethoxyphenyl)methanol
CID 63895814
(3-chloro-4,5-dimethoxyphenyl)-(oxolan-3-yl)methanol
CID 63563606
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105204535
(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171219149
(R)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171199622
[3,5-bis(azidomethoxy)-4-methoxyphenyl]-cyclooctylmethanol
CID 121320829
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458643
cyclooctyl-(3,4-dichlorophenyl)methanol
CID 65023087

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol?
The IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol (CID 82931298) is (3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol.
What is the SMILES notation for (3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol?
The canonical SMILES for (3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol is COc1cc(C(O)C2CCCCCC2)cc(Cl)c1OC.
What is the InChIKey of (3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol?
The InChIKey is GXDZTWGQPMUAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO3/c1-19-14-10-12(9-13(17)16(14)20-2)15(18)11-7-5-3-4-6-8-11/h9-11,15,18H,3-8H2,1-2H3.
What are the key properties of (3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol?
(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol has a molecular weight of 298.81 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol is sourced from PubChem (CID 82931298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).