(Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid

C19H20O2 — CID 43344010

IUPAC(Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid
SMILESCC(C)(C)c1ccc(/C=C(\C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-19(2,3)16-11-9-14(10-12-16)13-17(18(20)21)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,20,21)/b17-13-
InChIKeyPESVDMSHMHWVJF-LGMDPLHJSA-N
MW280.37 g/mol
LogP4.61
Rot. Bonds3

About (Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid

(Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid (PubChem CID 43344010) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid
PubChem CID43344010
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid
SMILESCC(C)(C)c1ccc(/C=C(\C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-19(2,3)16-11-9-14(10-12-16)13-17(18(20)21)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,20,21)/b17-13-
InChIKeyPESVDMSHMHWVJF-LGMDPLHJSA-N
XLogP4.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.61
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

(Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 43244487
1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
CID 156672934
(Z)-3-(4-tert-butylphenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid
CID 83954326
(Z)-3-(4-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239549
3-(3,5-dimethylphenyl)-2-phenylprop-2-enoic acid
CID 76916002
(E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium
CID 59041030
(E)-2,3-bis[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]prop-2-enoic acid
CID 135071061
1-tert-butyl-4-(2-nitro-2-phenylethenyl)benzene
CID 76996214
(E)-3-(4-tert-butylphenyl)-2-(5-chlorothiophen-2-yl)prop-2-enoic acid
CID 83954336
2-(1,3-benzoxazol-2-yl)-3-(4-tert-butylphenyl)-1-phenylprop-2-en-1-one
CID 2913292
(E)-2-(4-ethylphenyl)-3-phenylprop-2-enoic acid
CID 125466600
(E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid
CID 23619429

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid (CID 43344010) is (Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid is CC(C)(C)c1ccc(/C=C(\C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid?
The InChIKey is PESVDMSHMHWVJF-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H20O2/c1-19(2,3)16-11-9-14(10-12-16)13-17(18(20)21)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,20,21)/b17-13-.
What are the key properties of (Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid?
(Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid has a molecular weight of 280.37 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid is sourced from PubChem (CID 43344010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).