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

C14H20O3 — CID 65049668

IUPAC1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol
SMILESCOc1ccc(OC)c(C2(O)CCCC2C)c1
InChIInChI=1S/C14H20O3/c1-10-5-4-8-14(10,15)12-9-11(16-2)6-7-13(12)17-3/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyKINSNJKNIGHQQX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.71
Rot. Bonds3

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

1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol (PubChem CID 65049668) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol
PubChem CID65049668
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol
SMILESCOc1ccc(OC)c(C2(O)CCCC2C)c1
InChIInChI=1S/C14H20O3/c1-10-5-4-8-14(10,15)12-9-11(16-2)6-7-13(12)17-3/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyKINSNJKNIGHQQX-UHFFFAOYSA-N
XLogP2.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol
CID 62802493
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188
1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 63409211
1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79862324
4-(2,5-dimethoxyphenyl)-3-ethylpiperidin-4-ol
CID 114510480
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237
trans-(1S,2R)-2-methyl-1-(3,4,5-trimethoxyphenyl)cyclohexan-1-ol
CID 826143
2-(2,5-dimethoxyphenyl)-2-propan-2-ylpyrrolidine
CID 66465821
(1R,4aS,5R,6S,8aS)-5-[(2,5-dimethoxyphenyl)methyl]-1,5,6,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol
CID 23252174
3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468438
3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538682

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol (CID 65049668) is 1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol is COc1ccc(OC)c(C2(O)CCCC2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol?
The InChIKey is KINSNJKNIGHQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-5-4-8-14(10,15)12-9-11(16-2)6-7-13(12)17-3/h6-7,9-10,15H,4-5,8H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol?
1-(2,5-dimethoxyphenyl)-2-methylcyclopentan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.71, 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-methylcyclopentan-1-ol is sourced from PubChem (CID 65049668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).