3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one

C30H22O4 — CID 151547631

IUPAC3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one
SMILESO=C1C2CC=CC=C2OC(c2ccccc2)C1c1c(-c2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C30H22O4/c31-27-21-15-7-9-17-23(21)33-29(19-11-3-1-4-12-19)25(27)26-28(32)22-16-8-10-18-24(22)34-30(26)20-13-5-2-6-14-20/h1-15,17-18,22,26,30H,16H2
InChIKeyPZUGHFFROXBZSS-UHFFFAOYSA-N
MW446.50 g/mol
LogP6.34
Rot. Bonds3

About 3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one

3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one (PubChem CID 151547631) has the molecular formula C30H22O4 and a molecular weight of 446.50 g/mol. Its IUPAC name is 3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one
PubChem CID151547631
Molecular FormulaC30H22O4
Molecular Weight446.50 g/mol
Exact Mass446.15
IUPAC Name3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one
SMILESO=C1C2CC=CC=C2OC(c2ccccc2)C1c1c(-c2ccccc2)oc2ccccc2c1=O
InChIInChI=1S/C30H22O4/c31-27-21-15-7-9-17-23(21)33-29(19-11-3-1-4-12-19)25(27)26-28(32)22-16-8-10-18-24(22)34-30(26)20-13-5-2-6-14-20/h1-15,17-18,22,26,30H,16H2
InChIKeyPZUGHFFROXBZSS-UHFFFAOYSA-N
XLogP6.34
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4a,5-dihydrochromene-3,4-dione
CID 67065449
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one
CID 15461730
copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)
CID 139162743
(1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7379009
(7R,11aR)-7-phenyl-7a,9,10,11a-tetrahydro-7H-chromeno[3,2-c]chromene-6,8,11-trione
CID 101123904
13-phenyl-2,4,22-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),5,7,9,16,18,20-octaene-11,15-dione
CID 100831307
3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one
CID 87249691
3-hydroxy-2-phenylchromen-4-one;sulfuric acid
CID 118009267
(4-oxo-2-phenylchromen-3-yl) 2-bromobenzoate
CID 1178206
3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one
CID 54184234
2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one
CID 174839518

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one?
The IUPAC name of 3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one (CID 151547631) is 3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one.
What is the SMILES notation for 3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one?
The canonical SMILES for 3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one is O=C1C2CC=CC=C2OC(c2ccccc2)C1c1c(-c2ccccc2)oc2ccccc2c1=O.
What is the InChIKey of 3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one?
The InChIKey is PZUGHFFROXBZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O4/c31-27-21-15-7-9-17-23(21)33-29(19-11-3-1-4-12-19)25(27)26-28(32)22-16-8-10-18-24(22)34-30(26)20-13-5-2-6-14-20/h1-15,17-18,22,26,30H,16H2.
What are the key properties of 3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one?
3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one has a molecular weight of 446.50 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-2-phenyl-2,3,4a,5-tetrahydrochromen-3-yl)-2-phenylchromen-4-one is sourced from PubChem (CID 151547631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).