2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol

C17H26O — CID 117368877

IUPAC2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol
SMILESCC1CCC(c2ccccc2C(C)(C)CO)CC1
InChIInChI=1S/C17H26O/c1-13-8-10-14(11-9-13)15-6-4-5-7-16(15)17(2,3)12-18/h4-7,13-14,18H,8-12H2,1-3H3
InChIKeyIWRYWRPOLCTCLP-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.25
Rot. Bonds3

About 2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol

2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol (PubChem CID 117368877) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol
PubChem CID117368877
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol
SMILESCC1CCC(c2ccccc2C(C)(C)CO)CC1
InChIInChI=1S/C17H26O/c1-13-8-10-14(11-9-13)15-6-4-5-7-16(15)17(2,3)12-18/h4-7,13-14,18H,8-12H2,1-3H3
InChIKeyIWRYWRPOLCTCLP-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol?
The IUPAC name of 2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol (CID 117368877) is 2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol is CC1CCC(c2ccccc2C(C)(C)CO)CC1.
What is the InChIKey of 2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol?
The InChIKey is IWRYWRPOLCTCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-13-8-10-14(11-9-13)15-6-4-5-7-16(15)17(2,3)12-18/h4-7,13-14,18H,8-12H2,1-3H3.
What are the key properties of 2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol?
2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol is sourced from PubChem (CID 117368877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).