1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol

C18H28O — CID 65090870

IUPAC1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
SMILESCc1cccc(CC2(O)CCCC(C(C)C)CC2)c1
InChIInChI=1S/C18H28O/c1-14(2)17-8-5-10-18(19,11-9-17)13-16-7-4-6-15(3)12-16/h4,6-7,12,14,17,19H,5,8-11,13H2,1-3H3
InChIKeyXWOBXPXPRPGKON-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.50
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol

1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol (PubChem CID 65090870) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
PubChem CID65090870
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
SMILESCc1cccc(CC2(O)CCCC(C(C)C)CC2)c1
InChIInChI=1S/C18H28O/c1-14(2)17-8-5-10-18(19,11-9-17)13-16-7-4-6-15(3)12-16/h4,6-7,12,14,17,19H,5,8-11,13H2,1-3H3
InChIKeyXWOBXPXPRPGKON-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65084703
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086856
4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65085894
1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63407188
1-(3-methylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449876
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449890
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449763
1-[(3-bromophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65094519
1-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65151763
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65424884
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448986
(3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 174969427

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol?
The IUPAC name of 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol (CID 65090870) is 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol is Cc1cccc(CC2(O)CCCC(C(C)C)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol?
The InChIKey is XWOBXPXPRPGKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-14(2)17-8-5-10-18(19,11-9-17)13-16-7-4-6-15(3)12-16/h4,6-7,12,14,17,19H,5,8-11,13H2,1-3H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol?
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol is sourced from PubChem (CID 65090870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).