1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol

C17H26O — CID 107449675

IUPAC1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol
SMILESCCc1ccc(C2(O)CCCC(C(C)C)C2)cc1
InChIInChI=1S/C17H26O/c1-4-14-7-9-16(10-8-14)17(18)11-5-6-15(12-17)13(2)3/h7-10,13,15,18H,4-6,11-12H2,1-3H3
InChIKeyURXCTETYOWVMRW-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.28
Rot. Bonds3

About 1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol

1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107449675) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol
PubChem CID107449675
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol
SMILESCCc1ccc(C2(O)CCCC(C(C)C)C2)cc1
InChIInChI=1S/C17H26O/c1-4-14-7-9-16(10-8-14)17(18)11-5-6-15(12-17)13(2)3/h7-10,13,15,18H,4-6,11-12H2,1-3H3
InChIKeyURXCTETYOWVMRW-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol (CID 107449675) is 1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol is CCc1ccc(C2(O)CCCC(C(C)C)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is URXCTETYOWVMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-4-14-7-9-16(10-8-14)17(18)11-5-6-15(12-17)13(2)3/h7-10,13,15,18H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol?
1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107449675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).