3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate

C18H18O5 — CID 54240947

IUPAC3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate
SMILESCOc1cc(C=CCOC(=O)c2ccccc2)cc(OC)c1O
InChIInChI=1S/C18H18O5/c1-21-15-11-13(12-16(22-2)17(15)19)7-6-10-23-18(20)14-8-4-3-5-9-14/h3-9,11-12,19H,10H2,1-2H3
InChIKeyQPYMZNMRVAVFOG-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.28
Rot. Bonds6

About 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate

3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate (PubChem CID 54240947) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate.

Molecular Properties

Compound Name3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate
PubChem CID54240947
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate
SMILESCOc1cc(C=CCOC(=O)c2ccccc2)cc(OC)c1O
InChIInChI=1S/C18H18O5/c1-21-15-11-13(12-16(22-2)17(15)19)7-6-10-23-18(20)14-8-4-3-5-9-14/h3-9,11-12,19H,10H2,1-2H3
InChIKeyQPYMZNMRVAVFOG-UHFFFAOYSA-N
XLogP3.28
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1,2-diphenylethanone;[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] benzoate
CID 146458266
3-[(2R,3S)-3-(benzoyloxymethyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enyl benzoate
CID 162948003
[(E)-3-[(2S,3R)-3-[(4-hydroxybenzoyl)oxymethyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enyl] 4-hydroxybenzoate
CID 46938439
[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
CID 97380584
2,6-dimethoxy-4-(3-phenylmethoxyprop-1-enyl)phenol
CID 73182651
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl 2-methylprop-2-enoate
CID 139950809
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 85318213
3-phenylprop-2-enyl 3-hydroxybenzoate
CID 71953563
[(E)-3-phenylprop-2-enyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681322
(2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 127042887
[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 153435564
[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl] dodecanoate
CID 141148085

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate?
The IUPAC name of 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate (CID 54240947) is 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate.
What is the SMILES notation for 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate?
The canonical SMILES for 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate is COc1cc(C=CCOC(=O)c2ccccc2)cc(OC)c1O.
What is the InChIKey of 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate?
The InChIKey is QPYMZNMRVAVFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-21-15-11-13(12-16(22-2)17(15)19)7-6-10-23-18(20)14-8-4-3-5-9-14/h3-9,11-12,19H,10H2,1-2H3.
What are the key properties of 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate?
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate has a molecular weight of 314.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate is sourced from PubChem (CID 54240947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).