(Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid

C19H20O2 — CID 83953215

IUPAC(Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid
SMILESCCc1ccc(/C=C(\C(=O)O)c2ccc(CC)cc2)cc1
InChIInChI=1S/C19H20O2/c1-3-14-5-7-16(8-6-14)13-18(19(20)21)17-11-9-15(4-2)10-12-17/h5-13H,3-4H2,1-2H3,(H,20,21)/b18-13-
InChIKeyZWCQCSKNSUIHGN-AQTBWJFISA-N
MW280.37 g/mol
LogP4.44
Rot. Bonds5

About (Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid

(Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid (PubChem CID 83953215) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid
PubChem CID83953215
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid
SMILESCCc1ccc(/C=C(\C(=O)O)c2ccc(CC)cc2)cc1
InChIInChI=1S/C19H20O2/c1-3-14-5-7-16(8-6-14)13-18(19(20)21)17-11-9-15(4-2)10-12-17/h5-13H,3-4H2,1-2H3,(H,20,21)/b18-13-
InChIKeyZWCQCSKNSUIHGN-AQTBWJFISA-N
XLogP4.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(E)-2-(4-ethylphenyl)-3-phenylprop-2-enoic acid
CID 125466600
(Z)-2-(4-ethylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 83953378
(Z)-2-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952457
3-(4-aminophenyl)-2-[4-[(4-ethylphenyl)methylideneamino]phenyl]prop-2-enoic acid
CID 56984592
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(4-ethylphenyl)prop-2-enoic acid
CID 83953226
(Z)-4-amino-2-(4-ethylphenyl)-4-oxobut-2-enoic acid
CID 19910832
(Z)-2-(4-ethylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83953907
3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid
CID 79726802
(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid
CID 6276844
(Z)-3-(4-ethylphenyl)-2-naphthalen-1-ylprop-2-enoic acid
CID 83953224
(Z)-3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid
CID 112720011
(E)-2,3-bis[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]prop-2-enoic acid
CID 135071061

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid (CID 83953215) is (Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid is CCc1ccc(/C=C(\C(=O)O)c2ccc(CC)cc2)cc1.
What is the InChIKey of (Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid?
The InChIKey is ZWCQCSKNSUIHGN-AQTBWJFISA-N. The full InChI is InChI=1S/C19H20O2/c1-3-14-5-7-16(8-6-14)13-18(19(20)21)17-11-9-15(4-2)10-12-17/h5-13H,3-4H2,1-2H3,(H,20,21)/b18-13-.
What are the key properties of (Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid?
(Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid has a molecular weight of 280.37 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83953215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).