7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one

C18H16O4 — CID 101159250

IUPAC7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
SMILESCC(CO)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C18H16O4/c1-12(10-19)22-14-7-8-15-17(9-14)21-11-16(18(15)20)13-5-3-2-4-6-13/h2-9,11-12,19H,10H2,1H3
InChIKeyMGBMXLMPUFBMPC-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.22
Rot. Bonds4

About 7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one

7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one (PubChem CID 101159250) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
PubChem CID101159250
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
SMILESCC(CO)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C18H16O4/c1-12(10-19)22-14-7-8-15-17(9-14)21-11-16(18(15)20)13-5-3-2-4-6-13/h2-9,11-12,19H,10H2,1H3
InChIKeyMGBMXLMPUFBMPC-UHFFFAOYSA-N
XLogP3.22
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-oxo-3-phenylchromen-7-yl)oxybutanoate
CID 23987620
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
7-(3-methylbutoxy)-3-phenylchromen-4-one
CID 23931723
N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 45371498
(4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate
CID 23965769
N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 163082505
2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxypropanoic acid
CID 2792629
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
(2R)-2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxypropanoic acid
CID 693182
(4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate
CID 110274410
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
(2R)-N-(2-cyanophenyl)-2-(4-oxo-3-phenylchromen-7-yl)oxypropanamide
CID 7641958

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one?
The IUPAC name of 7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one (CID 101159250) is 7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one.
What is the SMILES notation for 7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one?
The canonical SMILES for 7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one is CC(CO)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1.
What is the InChIKey of 7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one?
The InChIKey is MGBMXLMPUFBMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-12(10-19)22-14-7-8-15-17(9-14)21-11-16(18(15)20)13-5-3-2-4-6-13/h2-9,11-12,19H,10H2,1H3.
What are the key properties of 7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one?
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one has a molecular weight of 296.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one is sourced from PubChem (CID 101159250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).