1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol

C18H24O — CID 143366321

IUPAC1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol
SMILESCCCc1ccc(C#CC2(O)CCCCC2)c(C)c1
InChIInChI=1S/C18H24O/c1-3-7-16-8-9-17(15(2)14-16)10-13-18(19)11-5-4-6-12-18/h8-9,14,19H,3-7,11-12H2,1-2H3
InChIKeyUOWSRAJJHHJTJO-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.99
Rot. Bonds2

About 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol

1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol (PubChem CID 143366321) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol
PubChem CID143366321
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol
SMILESCCCc1ccc(C#CC2(O)CCCCC2)c(C)c1
InChIInChI=1S/C18H24O/c1-3-7-16-8-9-17(15(2)14-16)10-13-18(19)11-5-4-6-12-18/h8-9,14,19H,3-7,11-12H2,1-2H3
InChIKeyUOWSRAJJHHJTJO-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol (CID 143366321) is 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol is CCCc1ccc(C#CC2(O)CCCCC2)c(C)c1.
What is the InChIKey of 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol?
The InChIKey is UOWSRAJJHHJTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-3-7-16-8-9-17(15(2)14-16)10-13-18(19)11-5-4-6-12-18/h8-9,14,19H,3-7,11-12H2,1-2H3.
What are the key properties of 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol?
1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol is sourced from PubChem (CID 143366321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).