(Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one

C15H12O5 — CID 25243927

IUPAC(Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C(\O)c1ccc(O)cc1)c1ccc(O)cc1O
InChIInChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)13(18)8-15(20)12-6-5-11(17)7-14(12)19/h1-8,16-19H/b13-8-
InChIKeyXCILFXNAMITKHJ-JYRVWZFOSA-N
MW272.26 g/mol
LogP2.59
Rot. Bonds3

About (Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one

(Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one (PubChem CID 25243927) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is (Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one
PubChem CID25243927
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name(Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C(\O)c1ccc(O)cc1)c1ccc(O)cc1O
InChIInChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)13(18)8-15(20)12-6-5-11(17)7-14(12)19/h1-8,16-19H/b13-8-
InChIKeyXCILFXNAMITKHJ-JYRVWZFOSA-N
XLogP2.59
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dihydroxybenzoic acid
CID 1491
(Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one
CID 102020690
4-hydroxybenzoic acid;2-hydroxyterephthalic acid
CID 174971569
4-[(Z)-1-hydroxy-3-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxoprop-1-enyl]benzoic acid
CID 6440834
3-(4-fluorophenyl)-3-hydroxy-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
CID 7307869
3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 7307866
(E)-1-(2,4-dihydroxyphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 151077564
3,5-dichloro-2,4-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid
CID 161415346
(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
CID 5281222
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
methyl (Z)-4-hydroxy-4-(4-hydroxyphenyl)-2-oxobut-3-enoate
CID 6917291
1-(2-chlorophenyl)-3-hydroxy-3-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
CID 4228683

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one (CID 25243927) is (Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C(\O)c1ccc(O)cc1)c1ccc(O)cc1O.
What is the InChIKey of (Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is XCILFXNAMITKHJ-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)13(18)8-15(20)12-6-5-11(17)7-14(12)19/h1-8,16-19H/b13-8-.
What are the key properties of (Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one?
(Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 272.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 25243927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).