(Z)-3-(4-phenylphenyl)but-2-enal

C16H14O — CID 20528564

IUPAC(Z)-3-(4-phenylphenyl)but-2-enal
SMILESC/C(=C/C=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O/c1-13(11-12-17)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-12H,1H3/b13-11-
InChIKeyCJAYQRCOMALDFW-QBFSEMIESA-N
MW222.29 g/mol
LogP3.96
Rot. Bonds3

About (Z)-3-(4-phenylphenyl)but-2-enal

(Z)-3-(4-phenylphenyl)but-2-enal (PubChem CID 20528564) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is (Z)-3-(4-phenylphenyl)but-2-enal.

Molecular Properties

Compound Name(Z)-3-(4-phenylphenyl)but-2-enal
PubChem CID20528564
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name(Z)-3-(4-phenylphenyl)but-2-enal
SMILESC/C(=C/C=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O/c1-13(11-12-17)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-12H,1H3/b13-11-
InChIKeyCJAYQRCOMALDFW-QBFSEMIESA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)but-2-enal
CID 74343436
1-(1-fluoroprop-1-en-2-yl)-4-phenylbenzene
CID 134863084
1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
5-phenylhexa-2,4-dienal
CID 71444454
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
(E)-3-[4-(dimethylamino)phenyl]but-2-enal
CID 102200939
3-pyridin-4-ylbut-2-enal
CID 130702758
(2E,4E,6E)-7-azulen-2-yl-3-methylocta-2,4,6-trienal
CID 14775675
3-[4-(trifluoromethyl)phenyl]but-2-enal
CID 54172947
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-phenylphenyl)but-2-enal?
The IUPAC name of (Z)-3-(4-phenylphenyl)but-2-enal (CID 20528564) is (Z)-3-(4-phenylphenyl)but-2-enal.
What is the SMILES notation for (Z)-3-(4-phenylphenyl)but-2-enal?
The canonical SMILES for (Z)-3-(4-phenylphenyl)but-2-enal is C/C(=C/C=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (Z)-3-(4-phenylphenyl)but-2-enal?
The InChIKey is CJAYQRCOMALDFW-QBFSEMIESA-N. The full InChI is InChI=1S/C16H14O/c1-13(11-12-17)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-12H,1H3/b13-11-.
What are the key properties of (Z)-3-(4-phenylphenyl)but-2-enal?
(Z)-3-(4-phenylphenyl)but-2-enal has a molecular weight of 222.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-phenylphenyl)but-2-enal is sourced from PubChem (CID 20528564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).