3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol

C15H22O — CID 116539985

IUPAC3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol
SMILESCc1ccc(CC2(C)CCC(O)C2)cc1C
InChIInChI=1S/C15H22O/c1-11-4-5-13(8-12(11)2)9-15(3)7-6-14(16)10-15/h4-5,8,14,16H,6-7,9-10H2,1-3H3
InChIKeySWJKWIDSOBMGTQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.40
Rot. Bonds2

About 3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol

3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol (PubChem CID 116539985) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol
PubChem CID116539985
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol
SMILESCc1ccc(CC2(C)CCC(O)C2)cc1C
InChIInChI=1S/C15H22O/c1-11-4-5-13(8-12(11)2)9-15(3)7-6-14(16)10-15/h4-5,8,14,16H,6-7,9-10H2,1-3H3
InChIKeySWJKWIDSOBMGTQ-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene
CID 116540815
1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 62669689
1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63406863
3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 114860136
1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63407188
1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873859
3-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 116540101
3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 116539892
4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine
CID 112562344
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol
CID 116539988
1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63407030
2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine
CID 66466946

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol?
The IUPAC name of 3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol (CID 116539985) is 3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol is Cc1ccc(CC2(C)CCC(O)C2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol?
The InChIKey is SWJKWIDSOBMGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11-4-5-13(8-12(11)2)9-15(3)7-6-14(16)10-15/h4-5,8,14,16H,6-7,9-10H2,1-3H3.
What are the key properties of 3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol?
3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol is sourced from PubChem (CID 116539985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).