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

C12H16O — CID 62669689

IUPAC1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol
SMILESCc1ccc(CC2(O)CC2)cc1C
InChIInChI=1S/C12H16O/c1-9-3-4-11(7-10(9)2)8-12(13)5-6-12/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyUKWDLDZLBVWWQZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.37
Rot. Bonds2

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

1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol (PubChem CID 62669689) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol
PubChem CID62669689
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol
SMILESCc1ccc(CC2(O)CC2)cc1C
InChIInChI=1S/C12H16O/c1-9-3-4-11(7-10(9)2)8-12(13)5-6-12/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyUKWDLDZLBVWWQZ-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63406863
1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63407188
1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117298022
1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63407030
1-[(4-methyl-3-phenylphenyl)methyl]cyclopropan-1-ol
CID 117349615
1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873859
1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol
CID 117290213
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,2-dimethylbenzene
CID 66048678
1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol
CID 117308163
3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol
CID 116539985
3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol
CID 83691069
4-[(3,4-dimethylphenyl)methyl]oxane-4-carboxylic acid
CID 55132767

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol (CID 62669689) is 1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol is Cc1ccc(CC2(O)CC2)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is UKWDLDZLBVWWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9-3-4-11(7-10(9)2)8-12(13)5-6-12/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol?
1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 62669689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).