3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one

C19H16O3 — CID 10957288

IUPAC3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one
SMILESC=CCc1cccc2c(=O)c(O)c(-c3ccc(C)cc3)oc12
InChIInChI=1S/C19H16O3/c1-3-5-13-6-4-7-15-16(20)17(21)19(22-18(13)15)14-10-8-12(2)9-11-14/h3-4,6-11,21H,1,5H2,2H3
InChIKeyIWTXKYQLPNITGP-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.20
Rot. Bonds3

About 3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one

3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one (PubChem CID 10957288) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one
PubChem CID10957288
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one
SMILESC=CCc1cccc2c(=O)c(O)c(-c3ccc(C)cc3)oc12
InChIInChI=1S/C19H16O3/c1-3-5-13-6-4-7-15-16(20)17(21)19(22-18(13)15)14-10-8-12(2)9-11-14/h3-4,6-11,21H,1,5H2,2H3
InChIKeyIWTXKYQLPNITGP-UHFFFAOYSA-N
XLogP4.20
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one
CID 10871114
3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one
CID 13270924
3,4-dimethyl-5-prop-2-enylxanthen-9-one
CID 59287844
4-prop-2-enylxanthen-9-one
CID 19102968
3,7-dihydroxy-8-methyl-2-phenylchromen-4-one
CID 178063464
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615
2-[4-(dimethylamino)phenyl]-3-hydroxybenzo[h]chromen-4-one
CID 2988186
3-hydroxy-2-(4-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
CID 850149
4-prop-2-enyl-1,3-benzodioxol-2-one
CID 140551297
2-(1,3-benzodioxol-5-yl)-3-hydroxy-8-methoxychromen-4-one
CID 18372889
8-(chloromethyl)-3-methyl-2-phenylchromen-4-one
CID 19972408
3-hydroxy-2-(2-hydroxy-4-methylphenyl)cyclohepta[b]pyran-4,9-dione
CID 15054431

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one?
The IUPAC name of 3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one (CID 10957288) is 3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one.
What is the SMILES notation for 3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one?
The canonical SMILES for 3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one is C=CCc1cccc2c(=O)c(O)c(-c3ccc(C)cc3)oc12.
What is the InChIKey of 3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one?
The InChIKey is IWTXKYQLPNITGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-3-5-13-6-4-7-15-16(20)17(21)19(22-18(13)15)14-10-8-12(2)9-11-14/h3-4,6-11,21H,1,5H2,2H3.
What are the key properties of 3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one?
3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one has a molecular weight of 292.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one is sourced from PubChem (CID 10957288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).