2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol

C18H24O — CID 63461628

IUPAC2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CC#Cc2ccccc2)C1
InChIInChI=1S/C18H24O/c1-2-7-16-12-13-18(19)17(14-16)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,16-19H,2,7,11-14H2,1H3
InChIKeyDXHNPCZPDXCOMP-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.01
Rot. Bonds3

About 2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol

2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol (PubChem CID 63461628) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol
PubChem CID63461628
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CC#Cc2ccccc2)C1
InChIInChI=1S/C18H24O/c1-2-7-16-12-13-18(19)17(14-16)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,16-19H,2,7,11-14H2,1H3
InChIKeyDXHNPCZPDXCOMP-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.01
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 2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol?
The IUPAC name of 2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol (CID 63461628) is 2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CC#Cc2ccccc2)C1.
What is the InChIKey of 2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol?
The InChIKey is DXHNPCZPDXCOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-2-7-16-12-13-18(19)17(14-16)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,16-19H,2,7,11-14H2,1H3.
What are the key properties of 2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol?
2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-ynyl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 63461628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).