2-(2,5-dimethoxyphenyl)hex-5-en-2-ol

C14H20O3 — CID 104656188

IUPAC2-(2,5-dimethoxyphenyl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H20O3/c1-5-6-9-14(2,15)12-10-11(16-3)7-8-13(12)17-4/h5,7-8,10,15H,1,6,9H2,2-4H3
InChIKeyONFWMFVAFDYBBX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.88
Rot. Bonds6

About 2-(2,5-dimethoxyphenyl)hex-5-en-2-ol

2-(2,5-dimethoxyphenyl)hex-5-en-2-ol (PubChem CID 104656188) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)hex-5-en-2-ol
PubChem CID104656188
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(2,5-dimethoxyphenyl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H20O3/c1-5-6-9-14(2,15)12-10-11(16-3)7-8-13(12)17-4/h5,7-8,10,15H,1,6,9H2,2-4H3
InChIKeyONFWMFVAFDYBBX-UHFFFAOYSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethoxyphenyl)hex-5-en-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
2-[(2R)-2-hydroxypent-4-en-2-yl]-4-methoxyphenol
CID 102252763
2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol
CID 104656196
2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
2-(2,5-dimethoxyphenyl)-2-methylpropanal
CID 82077627
4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene
CID 129010804
3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79831012
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol
CID 113437948
2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol
CID 165345524
2-(4-propoxyphenyl)hex-5-en-2-ol
CID 104656350

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)hex-5-en-2-ol?
The IUPAC name of 2-(2,5-dimethoxyphenyl)hex-5-en-2-ol (CID 104656188) is 2-(2,5-dimethoxyphenyl)hex-5-en-2-ol.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)hex-5-en-2-ol?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)hex-5-en-2-ol is C=CCCC(C)(O)c1cc(OC)ccc1OC.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)hex-5-en-2-ol?
The InChIKey is ONFWMFVAFDYBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-6-9-14(2,15)12-10-11(16-3)7-8-13(12)17-4/h5,7-8,10,15H,1,6,9H2,2-4H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)hex-5-en-2-ol?
2-(2,5-dimethoxyphenyl)hex-5-en-2-ol has a molecular weight of 236.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)hex-5-en-2-ol is sourced from PubChem (CID 104656188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).