1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol

C16H24O2 — CID 103432648

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol
SMILESCOc1c(C2(O)CCC(C)(C)C2)ccc(C)c1C
InChIInChI=1S/C16H24O2/c1-11-6-7-13(14(18-5)12(11)2)16(17)9-8-15(3,4)10-16/h6-7,17H,8-10H2,1-5H3
InChIKeyUNMBICHTRWQTSS-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.71
Rot. Bonds2

About 1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol

1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol (PubChem CID 103432648) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol
PubChem CID103432648
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol
SMILESCOc1c(C2(O)CCC(C)(C)C2)ccc(C)c1C
InChIInChI=1S/C16H24O2/c1-11-6-7-13(14(18-5)12(11)2)16(17)9-8-15(3,4)10-16/h6-7,17H,8-10H2,1-5H3
InChIKeyUNMBICHTRWQTSS-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol
CID 103432732
2-(2-methoxy-3,4-dimethylphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 103432445
4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)cyclohexan-1-ol
CID 103432415
4-(2-methoxy-3,4-dimethylphenyl)-1-methylazepan-4-ol
CID 103432584
3-ethyl-1-(2-methoxy-3,4-dimethylphenyl)cyclohexan-1-ol
CID 103432568
3-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclopentan-1-ol
CID 103434384
3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol
CID 80699117
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine
CID 103432756
1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 82805652

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol (CID 103432648) is 1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol is COc1c(C2(O)CCC(C)(C)C2)ccc(C)c1C.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol?
The InChIKey is UNMBICHTRWQTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11-6-7-13(14(18-5)12(11)2)16(17)9-8-15(3,4)10-16/h6-7,17H,8-10H2,1-5H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol?
1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 103432648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).