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

C17H26O — CID 65085894

IUPAC4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
SMILESCc1cccc(CC2(O)CCCC(C)(C)CC2)c1
InChIInChI=1S/C17H26O/c1-14-6-4-7-15(12-14)13-17(18)9-5-8-16(2,3)10-11-17/h4,6-7,12,18H,5,8-11,13H2,1-3H3
InChIKeyDIXCWWHSDYVBDY-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.26
Rot. Bonds2

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

4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol (PubChem CID 65085894) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
PubChem CID65085894
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
SMILESCc1cccc(CC2(O)CCCC(C)(C)CC2)c1
InChIInChI=1S/C17H26O/c1-14-6-4-7-15(12-14)13-17(18)9-5-8-16(2,3)10-11-17/h4,6-7,12,18H,5,8-11,13H2,1-3H3
InChIKeyDIXCWWHSDYVBDY-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.26
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-ol
CID 65090870
1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65085641
[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390376
2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
CID 81314321
1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
CID 62668960
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82857000
1-[(5-bromo-3-pyridinyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 113454948
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol (CID 65085894) is 4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol is Cc1cccc(CC2(O)CCCC(C)(C)CC2)c1.
What is the InChIKey of 4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol?
The InChIKey is DIXCWWHSDYVBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-14-6-4-7-15(12-14)13-17(18)9-5-8-16(2,3)10-11-17/h4,6-7,12,18H,5,8-11,13H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol?
4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 65085894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).