3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one

C24H18O4 — CID 2749298

IUPAC3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1O)c1cccc(C(=O)C=Cc2ccccc2O)c1
InChIInChI=1S/C24H18O4/c25-21-10-3-1-6-17(21)12-14-23(27)19-8-5-9-20(16-19)24(28)15-13-18-7-2-4-11-22(18)26/h1-16,25-26H
InChIKeyFRFLRNQXMSSLLA-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.89
Rot. Bonds6

About 3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one

3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one (PubChem CID 2749298) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
PubChem CID2749298
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1O)c1cccc(C(=O)C=Cc2ccccc2O)c1
InChIInChI=1S/C24H18O4/c25-21-10-3-1-6-17(21)12-14-23(27)19-8-5-9-20(16-19)24(28)15-13-18-7-2-4-11-22(18)26/h1-16,25-26H
InChIKeyFRFLRNQXMSSLLA-UHFFFAOYSA-N
XLogP4.89
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 71462728
(E)-3-(2-hydroxyphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 141495067
3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid
CID 70138823
3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
CID 69039311
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 170838343
(E)-3-(2-hydroxyphenyl)-1-(5-methyl-3-pyridinyl)prop-2-en-1-one
CID 59463195
4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide
CID 68660328
(E)-1-phenyl-3-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
CID 146448432
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
2,4-dihydroxy-5-[(Z)-3-(2-hydroxyphenyl)prop-2-enoyl]benzoic acid
CID 96892114
3-(2-hydroxy-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 67082787

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one?
The IUPAC name of 3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one (CID 2749298) is 3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one is O=C(C=Cc1ccccc1O)c1cccc(C(=O)C=Cc2ccccc2O)c1.
What is the InChIKey of 3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one?
The InChIKey is FRFLRNQXMSSLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c25-21-10-3-1-6-17(21)12-14-23(27)19-8-5-9-20(16-19)24(28)15-13-18-7-2-4-11-22(18)26/h1-16,25-26H.
What are the key properties of 3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one?
3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one has a molecular weight of 370.40 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one is sourced from PubChem (CID 2749298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).