(Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid

C16H14O4 — CID 5371395

IUPAC(Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid
SMILESCOc1ccccc1O/C(=C\C(=O)O)c1ccccc1
InChIInChI=1S/C16H14O4/c1-19-13-9-5-6-10-14(13)20-15(11-16(17)18)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)/b15-11-
InChIKeyKVEOZFXIPSAKPK-PTNGSMBKSA-N
MW270.28 g/mol
LogP3.20
Rot. Bonds5

About (Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid

(Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid (PubChem CID 5371395) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid
PubChem CID5371395
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid
SMILESCOc1ccccc1O/C(=C\C(=O)O)c1ccccc1
InChIInChI=1S/C16H14O4/c1-19-13-9-5-6-10-14(13)20-15(11-16(17)18)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)/b15-11-
InChIKeyKVEOZFXIPSAKPK-PTNGSMBKSA-N
XLogP3.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(1-phenylprop-1-enoxy)benzene
CID 70405108
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486
(2-methoxyphenyl) prop-2-enoate
CID 22987486
(Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83564407
(E)-3-[4-(2-methoxyphenyl)phenyl]but-2-enoic acid
CID 82092538
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
(Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid
CID 82082372
(Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid
CID 19421560
2-(2-benzoyl-3-methoxyphenyl)acetamide
CID 174500242
(2-methoxyphenyl) 2-methoxyacetate
CID 53423767

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid (CID 5371395) is (Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid is COc1ccccc1O/C(=C\C(=O)O)c1ccccc1.
What is the InChIKey of (Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid?
The InChIKey is KVEOZFXIPSAKPK-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-13-9-5-6-10-14(13)20-15(11-16(17)18)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)/b15-11-.
What are the key properties of (Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid?
(Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methoxyphenoxy)-3-phenylprop-2-enoic acid is sourced from PubChem (CID 5371395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).