2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol

C17H26O — CID 81314321

IUPAC2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
SMILESCc1cccc(CC2(O)CCC(C)(C)CC2C)c1
InChIInChI=1S/C17H26O/c1-13-6-5-7-15(10-13)12-17(18)9-8-16(3,4)11-14(17)2/h5-7,10,14,18H,8-9,11-12H2,1-4H3
InChIKeyLXSPJKKASMRTRM-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.11
Rot. Bonds2

About 2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol

2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol (PubChem CID 81314321) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
PubChem CID81314321
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
SMILESCc1cccc(CC2(O)CCC(C)(C)CC2C)c1
InChIInChI=1S/C17H26O/c1-13-6-5-7-15(10-13)12-17(18)9-8-16(3,4)11-14(17)2/h5-7,10,14,18H,8-9,11-12H2,1-4H3
InChIKeyLXSPJKKASMRTRM-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol (CID 81314321) is 2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol is Cc1cccc(CC2(O)CCC(C)(C)CC2C)c1.
What is the InChIKey of 2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is LXSPJKKASMRTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-13-6-5-7-15(10-13)12-17(18)9-8-16(3,4)11-14(17)2/h5-7,10,14,18H,8-9,11-12H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol?
2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 81314321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).