2-(2,4-dimethoxyphenyl)cycloheptan-1-ol

C15H22O3 — CID 62800812

IUPAC2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
SMILESCOc1ccc(C2CCCCCC2O)c(OC)c1
InChIInChI=1S/C15H22O3/c1-17-11-8-9-13(15(10-11)18-2)12-6-4-3-5-7-14(12)16/h8-10,12,14,16H,3-7H2,1-2H3
InChIKeyDOSPWAYOADUEOK-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.11
Rot. Bonds3

About 2-(2,4-dimethoxyphenyl)cycloheptan-1-ol

2-(2,4-dimethoxyphenyl)cycloheptan-1-ol (PubChem CID 62800812) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
PubChem CID62800812
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
SMILESCOc1ccc(C2CCCCCC2O)c(OC)c1
InChIInChI=1S/C15H22O3/c1-17-11-8-9-13(15(10-11)18-2)12-6-4-3-5-7-14(12)16/h8-10,12,14,16H,3-7H2,1-2H3
InChIKeyDOSPWAYOADUEOK-UHFFFAOYSA-N
XLogP3.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
CID 6994758
2-(2,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62802296
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806
1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene
CID 64910330
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine
CID 115927092
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
(3S,4S)-4-(2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 96594536
2-(2-fluoro-3-methoxyphenyl)cyclopentan-1-ol
CID 82812195
7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331273
3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81416329

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)cycloheptan-1-ol?
The IUPAC name of 2-(2,4-dimethoxyphenyl)cycloheptan-1-ol (CID 62800812) is 2-(2,4-dimethoxyphenyl)cycloheptan-1-ol.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)cycloheptan-1-ol?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)cycloheptan-1-ol is COc1ccc(C2CCCCCC2O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)cycloheptan-1-ol?
The InChIKey is DOSPWAYOADUEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-17-11-8-9-13(15(10-11)18-2)12-6-4-3-5-7-14(12)16/h8-10,12,14,16H,3-7H2,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)cycloheptan-1-ol?
2-(2,4-dimethoxyphenyl)cycloheptan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)cycloheptan-1-ol is sourced from PubChem (CID 62800812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).