(Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid

C16H12F2O3 — CID 19421507

IUPAC(Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/C(=O)O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H12F2O3/c1-21-14-4-2-10(3-5-14)15(9-16(19)20)11-6-12(17)8-13(18)7-11/h2-9H,1H3,(H,19,20)/b15-9-
InChIKeyYCZFQZJYHQTNCV-DHDCSXOGSA-N
MW290.27 g/mol
LogP3.49
Rot. Bonds4

About (Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid

(Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid (PubChem CID 19421507) has the molecular formula C16H12F2O3 and a molecular weight of 290.27 g/mol. Its IUPAC name is (Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
PubChem CID19421507
Molecular FormulaC16H12F2O3
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Name(Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/C(=O)O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H12F2O3/c1-21-14-4-2-10(3-5-14)15(9-16(19)20)11-6-12(17)8-13(18)7-11/h2-9H,1H3,(H,19,20)/b15-9-
InChIKeyYCZFQZJYHQTNCV-DHDCSXOGSA-N
XLogP3.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 19421512
(E)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 67731475
(E)-3-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 67731497
(Z)-3-(4-methoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enoic acid
CID 21307379
(E)-3-(4-methoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enoic acid
CID 22731222
2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)acetic acid
CID 142375762
(Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 19421682
(Z)-3-(4-methoxyphenyl)pent-2-enedioic acid
CID 70572343
(Z)-3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 5284375
(Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid
CID 12615337
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
(2Z)-2-(2-fluoro-7-methoxyfluoren-9-ylidene)acetic acid
CID 82578784

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid (CID 19421507) is (Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid is COc1ccc(/C(=C/C(=O)O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of (Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is YCZFQZJYHQTNCV-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H12F2O3/c1-21-14-4-2-10(3-5-14)15(9-16(19)20)11-6-12(17)8-13(18)7-11/h2-9H,1H3,(H,19,20)/b15-9-.
What are the key properties of (Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid?
(Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 290.27 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 19421507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).