(E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one

C16H14O3 — CID 100958822

IUPAC(E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C/c2cccc(O)c2)c(O)c1
InChIInChI=1S/C16H14O3/c1-11-5-7-14(16(19)9-11)15(18)8-6-12-3-2-4-13(17)10-12/h2-10,17,19H,1H3/b8-6+
InChIKeySHQJKJOOWNIORV-SOFGYWHQSA-N
MW254.28 g/mol
LogP3.30
Rot. Bonds3

About (E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one

(E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one (PubChem CID 100958822) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is (E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
PubChem CID100958822
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name(E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C/c2cccc(O)c2)c(O)c1
InChIInChI=1S/C16H14O3/c1-11-5-7-14(16(19)9-11)15(18)8-6-12-3-2-4-13(17)10-12/h2-10,17,19H,1H3/b8-6+
InChIKeySHQJKJOOWNIORV-SOFGYWHQSA-N
XLogP3.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 5270542
1-(2-hydroxy-4-methylphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5116680
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 53405565
(E)-1-(2,4-dihydroxy-3-methoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 44613798
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
CID 97304849
(E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 8855869
(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one
CID 92908631
(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
CID 5281222
1-(2,5-dihydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 71334768
N-[4-hydroxy-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 39735032
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-[3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
CID 16738422

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one (CID 100958822) is (E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one is Cc1ccc(C(=O)/C=C/c2cccc(O)c2)c(O)c1.
What is the InChIKey of (E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is SHQJKJOOWNIORV-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H14O3/c1-11-5-7-14(16(19)9-11)15(18)8-6-12-3-2-4-13(17)10-12/h2-10,17,19H,1H3/b8-6+.
What are the key properties of (E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one?
(E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 254.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 100958822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).