3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one

C18H16O4 — CID 10469827

IUPAC3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one
SMILESCC(C)Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1
InChIInChI=1S/C18H16O4/c1-11(2)22-14-7-8-15-17(9-14)21-10-16(18(15)20)12-3-5-13(19)6-4-12/h3-11,19H,1-2H3
InChIKeyDEQMUPGWSXUDKV-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.95
Rot. Bonds3

About 3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one

3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one (PubChem CID 10469827) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one
PubChem CID10469827
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one
SMILESCC(C)Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1
InChIInChI=1S/C18H16O4/c1-11(2)22-14-7-8-15-17(9-14)21-10-16(18(15)20)12-3-5-13(19)6-4-12/h3-11,19H,1-2H3
InChIKeyDEQMUPGWSXUDKV-UHFFFAOYSA-N
XLogP3.95
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one (CID 10469827) is 3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one is CC(C)Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1.
What is the InChIKey of 3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one?
The InChIKey is DEQMUPGWSXUDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-11(2)22-14-7-8-15-17(9-14)21-10-16(18(15)20)12-3-5-13(19)6-4-12/h3-11,19H,1-2H3.
What are the key properties of 3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one?
3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one has a molecular weight of 296.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one is sourced from PubChem (CID 10469827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).