4-(2,5-dimethoxyphenyl)but-3-en-1-ol

C12H16O3 — CID 170476817

IUPAC4-(2,5-dimethoxyphenyl)but-3-en-1-ol
SMILESCOc1ccc(OC)c(C=CCCO)c1
InChIInChI=1S/C12H16O3/c1-14-11-6-7-12(15-2)10(9-11)5-3-4-8-13/h3,5-7,9,13H,4,8H2,1-2H3
InChIKeyBWORLORIYDRTGC-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.10
Rot. Bonds5

About 4-(2,5-dimethoxyphenyl)but-3-en-1-ol

4-(2,5-dimethoxyphenyl)but-3-en-1-ol (PubChem CID 170476817) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)but-3-en-1-ol
PubChem CID170476817
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-(2,5-dimethoxyphenyl)but-3-en-1-ol
SMILESCOc1ccc(OC)c(C=CCCO)c1
InChIInChI=1S/C12H16O3/c1-14-11-6-7-12(15-2)10(9-11)5-3-4-8-13/h3,5-7,9,13H,4,8H2,1-2H3
InChIKeyBWORLORIYDRTGC-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol
CID 143867297
(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
CID 95444282
4-(2,5-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 79592499
N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide
CID 170488942
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene
CID 130417604
2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol
CID 59969522
1,4-dimethoxy-2-(2-methoxyethenyl)benzene
CID 67174730
2-(2-iodoethenyl)-1,4-dimethoxybenzene
CID 57364234
2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene
CID 46839985
4-(4-methoxy-2-nitrophenyl)but-3-en-1-ol
CID 170477231

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)but-3-en-1-ol?
The IUPAC name of 4-(2,5-dimethoxyphenyl)but-3-en-1-ol (CID 170476817) is 4-(2,5-dimethoxyphenyl)but-3-en-1-ol.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)but-3-en-1-ol?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)but-3-en-1-ol is COc1ccc(OC)c(C=CCCO)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)but-3-en-1-ol?
The InChIKey is BWORLORIYDRTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-11-6-7-12(15-2)10(9-11)5-3-4-8-13/h3,5-7,9,13H,4,8H2,1-2H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)but-3-en-1-ol?
4-(2,5-dimethoxyphenyl)but-3-en-1-ol has a molecular weight of 208.26 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)but-3-en-1-ol is sourced from PubChem (CID 170476817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).