1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol

C17H26O — CID 63406978

IUPAC1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCc1cccc(C2(O)CCC(C(C)C)CC2)c1C
InChIInChI=1S/C17H26O/c1-12(2)15-8-10-17(18,11-9-15)16-7-5-6-13(3)14(16)4/h5-7,12,15,18H,8-11H2,1-4H3
InChIKeySPIFOZDLVZMNEK-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.34
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol

1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 63406978) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID63406978
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCc1cccc(C2(O)CCC(C(C)C)CC2)c1C
InChIInChI=1S/C17H26O/c1-12(2)15-8-10-17(18,11-9-15)16-7-5-6-13(3)14(16)4/h5-7,12,15,18H,8-11H2,1-4H3
InChIKeySPIFOZDLVZMNEK-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol (CID 63406978) is 1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol is Cc1cccc(C2(O)CCC(C(C)C)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is SPIFOZDLVZMNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-12(2)15-8-10-17(18,11-9-15)16-7-5-6-13(3)14(16)4/h5-7,12,15,18H,8-11H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol?
1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 63406978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).