(3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate

C16H14O4 — CID 101102620

IUPAC(3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)Oc2cccc(O)c2)cc1
InChIInChI=1S/C16H14O4/c1-19-14-8-5-12(6-9-14)7-10-16(18)20-15-4-2-3-13(17)11-15/h2-11,17H,1H3/b10-7+
InChIKeyLZBHDYYRFCYCHQ-JXMROGBWSA-N
MW270.28 g/mol
LogP3.02
Rot. Bonds4

About (3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate

(3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 101102620) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID101102620
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)Oc2cccc(O)c2)cc1
InChIInChI=1S/C16H14O4/c1-19-14-8-5-12(6-9-14)7-10-16(18)20-15-4-2-3-13(17)11-15/h2-11,17H,1H3/b10-7+
InChIKeyLZBHDYYRFCYCHQ-JXMROGBWSA-N
XLogP3.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 886279
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 71945324
(4-chloro-3,5-dimethylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 917991
[3-iodo-4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyphenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 144703857
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920
(Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid
CID 150587214

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of (3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate (CID 101102620) is (3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)Oc2cccc(O)c2)cc1.
What is the InChIKey of (3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is LZBHDYYRFCYCHQ-JXMROGBWSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-14-8-5-12(6-9-14)7-10-16(18)20-15-4-2-3-13(17)11-15/h2-11,17H,1H3/b10-7+.
What are the key properties of (3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate?
(3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 270.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 101102620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).