(Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one

C17H16O3 — CID 7059682

IUPAC(Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(O)c(/C(O)=C/C(=O)c2ccccc2C)c1
InChIInChI=1S/C17H16O3/c1-11-7-8-15(18)14(9-11)17(20)10-16(19)13-6-4-3-5-12(13)2/h3-10,18,20H,1-2H3/b17-10-
InChIKeyYMSXTPQESQXACH-YVLHZVERSA-N
MW268.31 g/mol
LogP3.79
Rot. Bonds3

About (Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one

(Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one (PubChem CID 7059682) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one
PubChem CID7059682
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(O)c(/C(O)=C/C(=O)c2ccccc2C)c1
InChIInChI=1S/C17H16O3/c1-11-7-8-15(18)14(9-11)17(20)10-16(19)13-6-4-3-5-12(13)2/h3-10,18,20H,1-2H3/b17-10-
InChIKeyYMSXTPQESQXACH-YVLHZVERSA-N
XLogP3.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(2-chlorophenyl)-3-hydroxy-3-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
CID 4228683
3-(4-fluorophenyl)-3-hydroxy-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
CID 7307869
(E)-1-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 13145088
(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 164898916
(2-aminophenyl)-(2-hydroxy-5-methylphenyl)methanone
CID 10680803
(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one
CID 92908631
1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one
CID 15261544
1,4-dimethyl-2-[1-(2-methylphenyl)prop-1-enyl]benzene
CID 90922065
[[[amino-(2-methylphenyl)methylidene]amino]-(2-hydroxy-5-methylphenyl)methylidene]azanium
CID 142975902
[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-(2-methylphenyl)methanone
CID 921747
potassium 2-hydroxy-5-methylbenzoate
CID 67847974
2-[2-[(2-hydroxy-5-methylbenzoyl)amino]phenyl]acetic acid
CID 62535909

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one (CID 7059682) is (Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one is Cc1ccc(O)c(/C(O)=C/C(=O)c2ccccc2C)c1.
What is the InChIKey of (Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one?
The InChIKey is YMSXTPQESQXACH-YVLHZVERSA-N. The full InChI is InChI=1S/C17H16O3/c1-11-7-8-15(18)14(9-11)17(20)10-16(19)13-6-4-3-5-12(13)2/h3-10,18,20H,1-2H3/b17-10-.
What are the key properties of (Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one?
(Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one has a molecular weight of 268.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 7059682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).