(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid

C19H19ClO4 — CID 112720535

IUPAC(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
SMILESCCCOc1ccc(/C=C(\C(=O)O)c2ccccc2OC)cc1Cl
InChIInChI=1S/C19H19ClO4/c1-3-10-24-18-9-8-13(12-16(18)20)11-15(19(21)22)14-6-4-5-7-17(14)23-2/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)/b15-11-
InChIKeyRGLAFFOPWRSJSA-PTNGSMBKSA-N
MW346.81 g/mol
LogP4.76
Rot. Bonds7

About (Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid

(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid (PubChem CID 112720535) has the molecular formula C19H19ClO4 and a molecular weight of 346.81 g/mol. Its IUPAC name is (Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
PubChem CID112720535
Molecular FormulaC19H19ClO4
Molecular Weight346.81 g/mol
Exact Mass346.10
IUPAC Name(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
SMILESCCCOc1ccc(/C=C(\C(=O)O)c2ccccc2OC)cc1Cl
InChIInChI=1S/C19H19ClO4/c1-3-10-24-18-9-8-13(12-16(18)20)11-15(19(21)22)14-6-4-5-7-17(14)23-2/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)/b15-11-
InChIKeyRGLAFFOPWRSJSA-PTNGSMBKSA-N
XLogP4.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.76
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-(3-chloro-4-propoxyphenyl)-2-(2,5-dimethylphenyl)prop-2-enoic acid
CID 112720533
(Z)-2-(2,4-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
CID 83952117
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83955231
(Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid
CID 83954614
(Z)-3-(3-bromo-4-propoxyphenyl)-2-phenylprop-2-enoic acid
CID 20988508
(Z)-3-(3-chloro-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)prop-2-enoic acid
CID 83953026
(Z)-3-[4-(diethylamino)phenyl]-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83951109
4-[(Z)-2-carboxy-2-(2-methoxyphenyl)ethenyl]benzoic acid
CID 83955775
(Z)-2-(4-hydroxyphenyl)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 83953947
(Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
CID 83952138
(Z)-3-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83954743
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-enoic acid
CID 79726677

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid (CID 112720535) is (Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid is CCCOc1ccc(/C=C(\C(=O)O)c2ccccc2OC)cc1Cl.
What is the InChIKey of (Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
The InChIKey is RGLAFFOPWRSJSA-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H19ClO4/c1-3-10-24-18-9-8-13(12-16(18)20)11-15(19(21)22)14-6-4-5-7-17(14)23-2/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)/b15-11-.
What are the key properties of (Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid?
(Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid has a molecular weight of 346.81 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chloro-4-propoxyphenyl)-2-(2-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 112720535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).