1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol

C15H22O3 — CID 80699237

IUPAC1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
SMILESCOc1ccc(OC)c(C2(O)CCC(C)(C)C2)c1
InChIInChI=1S/C15H22O3/c1-14(2)7-8-15(16,10-14)12-9-11(17-3)5-6-13(12)18-4/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyBKYAYOVYLDIYDJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.10
Rot. Bonds3

About 1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol

1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol (PubChem CID 80699237) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
PubChem CID80699237
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
SMILESCOc1ccc(OC)c(C2(O)CCC(C)(C)C2)c1
InChIInChI=1S/C15H22O3/c1-14(2)7-8-15(16,10-14)12-9-11(17-3)5-6-13(12)18-4/h5-6,9,16H,7-8,10H2,1-4H3
InChIKeyBKYAYOVYLDIYDJ-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
CID 171366570
3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol
CID 62976703
4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571
1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 82805652
1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol
CID 62802493
1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79862324
4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
CID 82091719
3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468438
1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol
CID 65085746
3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol
CID 80699117
4-(2,5-dimethoxyphenyl)-3-ethylpiperidin-4-ol
CID 114510480
1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 116531723

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol (CID 80699237) is 1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol is COc1ccc(OC)c(C2(O)CCC(C)(C)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol?
The InChIKey is BKYAYOVYLDIYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2)7-8-15(16,10-14)12-9-11(17-3)5-6-13(12)18-4/h5-6,9,16H,7-8,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol?
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 80699237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).