(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol

C14H18O3 — CID 44610392

IUPAC(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
SMILESC=CCc1cc(/C=C/CO)cc(OC)c1OC
InChIInChI=1S/C14H18O3/c1-4-6-12-9-11(7-5-8-15)10-13(16-2)14(12)17-3/h4-5,7,9-10,15H,1,6,8H2,2-3H3/b7-5+
InChIKeyGVMNXTLDAKZPEF-FNORWQNLSA-N
MW234.29 g/mol
LogP2.44
Rot. Bonds6

About (E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol

(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol (PubChem CID 44610392) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
PubChem CID44610392
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
SMILESC=CCc1cc(/C=C/CO)cc(OC)c1OC
InChIInChI=1S/C14H18O3/c1-4-6-12-9-11(7-5-8-15)10-13(16-2)14(12)17-3/h4-5,7,9-10,15H,1,6,8H2,2-3H3/b7-5+
InChIKeyGVMNXTLDAKZPEF-FNORWQNLSA-N
XLogP2.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
(5-ethenyl-2,3-dimethoxyphenyl)methanol
CID 170419069
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
3-[3,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 85214400
diethyl 2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]propanedioate
CID 19937041
N-[(Z)-(3,4-dimethoxy-5-prop-2-enylphenyl)methylideneamino]acetamide
CID 126021403
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053
2,3,4-trimethoxy-6-prop-2-enylphenol
CID 44719618
4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol
CID 12641154
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
CID 47002652
(E)-3-[3-(fluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117323427
3-(4-dodecoxy-3-prop-2-enylphenyl)prop-2-en-1-ol
CID 75081708

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol (CID 44610392) is (E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol is C=CCc1cc(/C=C/CO)cc(OC)c1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol?
The InChIKey is GVMNXTLDAKZPEF-FNORWQNLSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-6-12-9-11(7-5-8-15)10-13(16-2)14(12)17-3/h4-5,7,9-10,15H,1,6,8H2,2-3H3/b7-5+.
What are the key properties of (E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol?
(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol has a molecular weight of 234.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 44610392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).