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

C15H22O3 — CID 79862324

IUPAC1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol
SMILESCOc1ccc(OC)c(C2(O)CCCC2(C)C)c1
InChIInChI=1S/C15H22O3/c1-14(2)8-5-9-15(14,16)12-10-11(17-3)6-7-13(12)18-4/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyMHSWZNWVLXTRMN-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.10
Rot. Bonds3

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

1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol (PubChem CID 79862324) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol
PubChem CID79862324
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol
SMILESCOc1ccc(OC)c(C2(O)CCCC2(C)C)c1
InChIInChI=1S/C15H22O3/c1-14(2)8-5-9-15(14,16)12-10-11(17-3)6-7-13(12)18-4/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyMHSWZNWVLXTRMN-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-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237
3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol
CID 62976703
1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol
CID 65049668
1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol
CID 62802493
4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571
1-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylcyclopentan-1-ol
CID 106679681
1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448378
1-(2,4-dimethoxyphenyl)-2,2-dimethylcyclohexan-1-amine
CID 79834775
1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83057964
3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468438
[2-(2,5-dimethoxyphenyl)-1,3-dioxan-2-yl]methanamine
CID 79017767
(2,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
CID 106828269

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol (CID 79862324) is 1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol is COc1ccc(OC)c(C2(O)CCCC2(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol?
The InChIKey is MHSWZNWVLXTRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2)8-5-9-15(14,16)12-10-11(17-3)6-7-13(12)18-4/h6-7,10,16H,5,8-9H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol?
1-(2,5-dimethoxyphenyl)-2,2-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)-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79862324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).