2,4-bis(2-hydroxyphenyl)but-2-enal

C16H14O3 — CID 142713129

IUPAC2,4-bis(2-hydroxyphenyl)but-2-enal
SMILESO=CC(=CCc1ccccc1O)c1ccccc1O
InChIInChI=1S/C16H14O3/c17-11-13(14-6-2-4-8-16(14)19)10-9-12-5-1-3-7-15(12)18/h1-8,10-11,18-19H,9H2
InChIKeyHWLUIDGFAWTAMU-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.92
Rot. Bonds4

About 2,4-bis(2-hydroxyphenyl)but-2-enal

2,4-bis(2-hydroxyphenyl)but-2-enal (PubChem CID 142713129) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2,4-bis(2-hydroxyphenyl)but-2-enal.

Molecular Properties

Compound Name2,4-bis(2-hydroxyphenyl)but-2-enal
PubChem CID142713129
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name2,4-bis(2-hydroxyphenyl)but-2-enal
SMILESO=CC(=CCc1ccccc1O)c1ccccc1O
InChIInChI=1S/C16H14O3/c17-11-13(14-6-2-4-8-16(14)19)10-9-12-5-1-3-7-15(12)18/h1-8,10-11,18-19H,9H2
InChIKeyHWLUIDGFAWTAMU-UHFFFAOYSA-N
XLogP2.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-hydroxybenzoic acid;2-(2-hydroxyphenyl)acetic acid
CID 70273337
2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol
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2-(3-prop-2-enylhexa-2,5-dienyl)phenol
CID 70595420
(2-hydroxyphenyl)-(2-prop-2-enylphenyl)methanone
CID 70545684
2-(2-iminoethyl)phenol
CID 90112038
2-(2-methyliminoethyl)phenol
CID 15310524
2-prop-2-enylphenol;sulfuryl dichloride
CID 174775131
2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol
CID 56851670
boric acid;2-prop-2-enylphenol
CID 70457137
benzene;2-ethylphenol
CID 159726745
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-hydroxyphenyl)but-2-enal?
The IUPAC name of 2,4-bis(2-hydroxyphenyl)but-2-enal (CID 142713129) is 2,4-bis(2-hydroxyphenyl)but-2-enal.
What is the SMILES notation for 2,4-bis(2-hydroxyphenyl)but-2-enal?
The canonical SMILES for 2,4-bis(2-hydroxyphenyl)but-2-enal is O=CC(=CCc1ccccc1O)c1ccccc1O.
What is the InChIKey of 2,4-bis(2-hydroxyphenyl)but-2-enal?
The InChIKey is HWLUIDGFAWTAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-11-13(14-6-2-4-8-16(14)19)10-9-12-5-1-3-7-15(12)18/h1-8,10-11,18-19H,9H2.
What are the key properties of 2,4-bis(2-hydroxyphenyl)but-2-enal?
2,4-bis(2-hydroxyphenyl)but-2-enal has a molecular weight of 254.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-hydroxyphenyl)but-2-enal is sourced from PubChem (CID 142713129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).