3-phenyl-7-propan-2-yloxychromen-4-one

C18H16O3 — CID 3747

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IUPAC3-phenyl-7-propan-2-yloxychromen-4-one
SMILESCC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeySFBODOKJTYAUCM-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.25
Rot. Bonds3

About 3-phenyl-7-propan-2-yloxychromen-4-one

3-phenyl-7-propan-2-yloxychromen-4-one (PubChem CID 3747) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-phenyl-7-propan-2-yloxychromen-4-one.

Molecular Properties

Compound Name3-phenyl-7-propan-2-yloxychromen-4-one
PubChem CID3747
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name3-phenyl-7-propan-2-yloxychromen-4-one
SMILESCC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeySFBODOKJTYAUCM-UHFFFAOYSA-N
XLogP4.25
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Genistein
CID 5280961
Tangeretin
CID 68077
2-Hydroxy-4-methoxybenzophenone
CID 4632
Octabenzone
CID 15797
Apigenin
CID 5280443
Diosmetin
CID 5281612
Hesperetin
CID 72281
Naringenin
CID 439246
Kaempferol
CID 5280863
Daidzein
CID 5281708
Chrysin
CID 5281607
Daidzin
CID 107971

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7-propan-2-yloxychromen-4-one?
The IUPAC name of 3-phenyl-7-propan-2-yloxychromen-4-one (CID 3747) is 3-phenyl-7-propan-2-yloxychromen-4-one.
What is the SMILES notation for 3-phenyl-7-propan-2-yloxychromen-4-one?
The canonical SMILES for 3-phenyl-7-propan-2-yloxychromen-4-one is CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1.
What is the InChIKey of 3-phenyl-7-propan-2-yloxychromen-4-one?
The InChIKey is SFBODOKJTYAUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 3-phenyl-7-propan-2-yloxychromen-4-one?
3-phenyl-7-propan-2-yloxychromen-4-one has a molecular weight of 280.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-propan-2-yloxychromen-4-one is sourced from PubChem (CID 3747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).