(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid

C18H18O4 — CID 83955905

IUPAC(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
SMILESCCOc1ccccc1/C=C(\C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C18H18O4/c1-3-22-17-10-5-4-7-14(17)12-16(18(19)20)13-8-6-9-15(11-13)21-2/h4-12H,3H2,1-2H3,(H,19,20)/b16-12-
InChIKeyNTPITCLJDXVNNE-VBKFSLOCSA-N
MW298.34 g/mol
LogP3.72
Rot. Bonds6

About (Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid

(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid (PubChem CID 83955905) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
PubChem CID83955905
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
SMILESCCOc1ccccc1/C=C(\C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C18H18O4/c1-3-22-17-10-5-4-7-14(17)12-16(18(19)20)13-8-6-9-15(11-13)21-2/h4-12H,3H2,1-2H3,(H,19,20)/b16-12-
InChIKeyNTPITCLJDXVNNE-VBKFSLOCSA-N
XLogP3.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83951771
(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20989024
(Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid
CID 83951220
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20988799
(Z)-3-(2-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83955918
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(2-ethoxyphenyl) 3-methoxybenzoate
CID 19184767
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
(Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20990227
(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
CID 22679856
(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20985032

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid (CID 83955905) is (Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid is CCOc1ccccc1/C=C(\C(=O)O)c1cccc(OC)c1.
What is the InChIKey of (Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid?
The InChIKey is NTPITCLJDXVNNE-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-22-17-10-5-4-7-14(17)12-16(18(19)20)13-8-6-9-15(11-13)21-2/h4-12H,3H2,1-2H3,(H,19,20)/b16-12-.
What are the key properties of (Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid?
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid has a molecular weight of 298.34 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83955905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).