(2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid

C20H18O2 — CID 142147840

IUPAC(2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid
SMILESC=C(C)/C(=C/C=C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C20H18O2/c1-15(2)18(20(21)22)13-14-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1H2,2H3,(H,21,22)/b18-13-
InChIKeyFDVKDKGUMDSNLF-AQTBWJFISA-N
MW290.36 g/mol
LogP4.71
Rot. Bonds5

About (2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid

(2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid (PubChem CID 142147840) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid
PubChem CID142147840
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name(2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid
SMILESC=C(C)/C(=C/C=C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C20H18O2/c1-15(2)18(20(21)22)13-14-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1H2,2H3,(H,21,22)/b18-13-
InChIKeyFDVKDKGUMDSNLF-AQTBWJFISA-N
XLogP4.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate
CID 18740011
CID 159564409
CID 159564409
benzoyl benzoate;2-methylprop-2-enoic acid
CID 87155251
(2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid
CID 21107835
biphenylene;2-methylprop-2-enoic acid
CID 174864090
2-methyl-1-phenylpropan-1-one;2-methylprop-2-enoic acid
CID 175602127
4-methyl-1-phenylpent-4-ene-1,3-dione
CID 15683513
(3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one
CID 145260514
(E)-2-prop-1-en-2-ylbut-2-enoic acid
CID 89227365
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
ethane;2-phenylprop-2-enoic acid
CID 142472843

Frequently Asked Questions

What is the IUPAC name of (2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid?
The IUPAC name of (2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid (CID 142147840) is (2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid.
What is the SMILES notation for (2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid?
The canonical SMILES for (2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid is C=C(C)/C(=C/C=C(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid?
The InChIKey is FDVKDKGUMDSNLF-AQTBWJFISA-N. The full InChI is InChI=1S/C20H18O2/c1-15(2)18(20(21)22)13-14-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1H2,2H3,(H,21,22)/b18-13-.
What are the key properties of (2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid?
(2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid has a molecular weight of 290.36 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid is sourced from PubChem (CID 142147840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).