4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol

C16H24O — CID 65084703

IUPAC4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
SMILESCc1cccc(CC2(O)CCCC(C)CC2)c1
InChIInChI=1S/C16H24O/c1-13-6-4-9-16(17,10-8-13)12-15-7-3-5-14(2)11-15/h3,5,7,11,13,17H,4,6,8-10,12H2,1-2H3
InChIKeyYKZVSUKSPORFQR-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.87
Rot. Bonds2

About 4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol

4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol (PubChem CID 65084703) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
PubChem CID65084703
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
SMILESCc1cccc(CC2(O)CCCC(C)CC2)c1
InChIInChI=1S/C16H24O/c1-13-6-4-9-16(17,10-8-13)12-15-7-3-5-14(2)11-15/h3,5,7,11,13,17H,4,6,8-10,12H2,1-2H3
InChIKeyYKZVSUKSPORFQR-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65090870
4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65085894
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol
CID 65084707
4-methyl-1-[(3-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 65393242
1-[(3-bromophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65094519
4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
CID 65085385
ethane;ethene;N,N,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 142809981
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide
CID 65119986
1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 54958001
1-[(3-bromo-5-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 79701481
1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol
CID 60797806
1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol (CID 65084703) is 4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol is Cc1cccc(CC2(O)CCCC(C)CC2)c1.
What is the InChIKey of 4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol?
The InChIKey is YKZVSUKSPORFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-13-6-4-9-16(17,10-8-13)12-15-7-3-5-14(2)11-15/h3,5,7,11,13,17H,4,6,8-10,12H2,1-2H3.
What are the key properties of 4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol?
4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 65084703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).