3-(3,5-dimethoxyphenyl)but-2-en-1-ol

C12H16O3 — CID 54436629

IUPAC3-(3,5-dimethoxyphenyl)but-2-en-1-ol
SMILESCOc1cc(OC)cc(C(C)=CCO)c1
InChIInChI=1S/C12H16O3/c1-9(4-5-13)10-6-11(14-2)8-12(7-10)15-3/h4,6-8,13H,5H2,1-3H3
InChIKeyWLEQALVSHLGLKI-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.10
Rot. Bonds4

About 3-(3,5-dimethoxyphenyl)but-2-en-1-ol

3-(3,5-dimethoxyphenyl)but-2-en-1-ol (PubChem CID 54436629) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)but-2-en-1-ol.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)but-2-en-1-ol
PubChem CID54436629
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-(3,5-dimethoxyphenyl)but-2-en-1-ol
SMILESCOc1cc(OC)cc(C(C)=CCO)c1
InChIInChI=1S/C12H16O3/c1-9(4-5-13)10-6-11(14-2)8-12(7-10)15-3/h4,6-8,13H,5H2,1-3H3
InChIKeyWLEQALVSHLGLKI-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,5-dimethoxyphenyl)but-2-en-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

Related Compounds

3-(3,5-dimethoxyphenyl)but-2-enal
CID 57055775
(E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol
CID 10526778
1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
3-(3,5-dimethoxyphenyl)prop-2-en-1-ol
CID 71346140
1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone
CID 23439770
4-(4-methoxyphenyl)pent-3-en-1-amine
CID 76997387
(NZ)-N-[1-(3,5-dimethoxyphenyl)ethylidene]hydroxylamine
CID 96551764
phosphane;1,3,5-trimethoxybenzene
CID 175232895
1,3,5-trimethoxybenzene;urea
CID 174919725
1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene
CID 71416363
(2S)-2-(3,5-dimethoxyphenyl)but-3-en-1-ol
CID 177484967
2-(3,5-dimethoxyphenyl)buta-2,3-dien-1-amine
CID 19894370

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)but-2-en-1-ol?
The IUPAC name of 3-(3,5-dimethoxyphenyl)but-2-en-1-ol (CID 54436629) is 3-(3,5-dimethoxyphenyl)but-2-en-1-ol.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)but-2-en-1-ol?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)but-2-en-1-ol is COc1cc(OC)cc(C(C)=CCO)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)but-2-en-1-ol?
The InChIKey is WLEQALVSHLGLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9(4-5-13)10-6-11(14-2)8-12(7-10)15-3/h4,6-8,13H,5H2,1-3H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)but-2-en-1-ol?
3-(3,5-dimethoxyphenyl)but-2-en-1-ol has a molecular weight of 208.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)but-2-en-1-ol is sourced from PubChem (CID 54436629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).