6-(2-methoxyphenyl)hex-5-yn-1-ol

C13H16O2 — CID 11401456

IUPAC6-(2-methoxyphenyl)hex-5-yn-1-ol
SMILESCOc1ccccc1C#CCCCCO
InChIInChI=1S/C13H16O2/c1-15-13-10-6-5-9-12(13)8-4-2-3-7-11-14/h5-6,9-10,14H,2-3,7,11H2,1H3
InChIKeyBLWICCIVCPWPIP-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.21
Rot. Bonds4

About 6-(2-methoxyphenyl)hex-5-yn-1-ol

6-(2-methoxyphenyl)hex-5-yn-1-ol (PubChem CID 11401456) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)hex-5-yn-1-ol.

Molecular Properties

Compound Name6-(2-methoxyphenyl)hex-5-yn-1-ol
PubChem CID11401456
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name6-(2-methoxyphenyl)hex-5-yn-1-ol
SMILESCOc1ccccc1C#CCCCCO
InChIInChI=1S/C13H16O2/c1-15-13-10-6-5-9-12(13)8-4-2-3-7-11-14/h5-6,9-10,14H,2-3,7,11H2,1H3
InChIKeyBLWICCIVCPWPIP-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(2-methoxyphenyl)hex-5-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)hex-5-yn-1-ol?
The IUPAC name of 6-(2-methoxyphenyl)hex-5-yn-1-ol (CID 11401456) is 6-(2-methoxyphenyl)hex-5-yn-1-ol.
What is the SMILES notation for 6-(2-methoxyphenyl)hex-5-yn-1-ol?
The canonical SMILES for 6-(2-methoxyphenyl)hex-5-yn-1-ol is COc1ccccc1C#CCCCCO.
What is the InChIKey of 6-(2-methoxyphenyl)hex-5-yn-1-ol?
The InChIKey is BLWICCIVCPWPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-15-13-10-6-5-9-12(13)8-4-2-3-7-11-14/h5-6,9-10,14H,2-3,7,11H2,1H3.
What are the key properties of 6-(2-methoxyphenyl)hex-5-yn-1-ol?
6-(2-methoxyphenyl)hex-5-yn-1-ol has a molecular weight of 204.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)hex-5-yn-1-ol is sourced from PubChem (CID 11401456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).