(2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one

C24H17ClO3 — CID 177450513

IUPAC(2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one
SMILESO=c1c2c(oc3ccc(Cl)cc13)C[C@H](c1ccccc1)[C@@H](c1ccccc1)O2
InChIInChI=1S/C24H17ClO3/c25-17-11-12-20-19(13-17)22(26)24-21(27-20)14-18(15-7-3-1-4-8-15)23(28-24)16-9-5-2-6-10-16/h1-13,18,23H,14H2/t18-,23-/m1/s1
InChIKeyLIZZJUZGPVNPDD-WZONZLPQSA-N
MW388.85 g/mol
LogP5.91
Rot. Bonds2

About (2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one

(2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one (PubChem CID 177450513) has the molecular formula C24H17ClO3 and a molecular weight of 388.85 g/mol. Its IUPAC name is (2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one.

Molecular Properties

Compound Name(2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one
PubChem CID177450513
Molecular FormulaC24H17ClO3
Molecular Weight388.85 g/mol
Exact Mass388.09
IUPAC Name(2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one
SMILESO=c1c2c(oc3ccc(Cl)cc13)C[C@H](c1ccccc1)[C@@H](c1ccccc1)O2
InChIInChI=1S/C24H17ClO3/c25-17-11-12-20-19(13-17)22(26)24-21(27-20)14-18(15-7-3-1-4-8-15)23(28-24)16-9-5-2-6-10-16/h1-13,18,23H,14H2/t18-,23-/m1/s1
InChIKeyLIZZJUZGPVNPDD-WZONZLPQSA-N
XLogP5.91
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one with MolForge

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Related Compounds

(11R,12R,13S,14R)-5-chloro-2-oxo-14-phenyl-9,15-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),3(8),4,6-tetraene-12-carbaldehyde
CID 10338121
2,3-dibenzoyl-7-chloroxanthen-9-one
CID 10646706
(1S)-7-chloro-2-(2-hydroxyethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40606586
3-benzoyl-9-chloro-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one
CID 10831062
(11R,15S,16R)-16-benzyl-5-chloro-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one
CID 102287347
(4R)-4-(6-chloro-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 99989931
7-chloro-2-(4-fluorophenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852958
2-benzyl-7-chloro-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810217
(11R,15S,16R)-5-chloro-16-methyl-9,14,17-trioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,12-pentaen-2-one
CID 102287339
6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
methyl (2R,4R)-9-chloro-2-hydroxy-5-oxo-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2-carboxylate
CID 11784013
5-chloro-16-methyl-9,17-dioxa-12-thiatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11(15),13-hexaen-2-one
CID 10566460

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one?
The IUPAC name of (2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one (CID 177450513) is (2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one.
What is the SMILES notation for (2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one?
The canonical SMILES for (2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one is O=c1c2c(oc3ccc(Cl)cc13)C[C@H](c1ccccc1)[C@@H](c1ccccc1)O2.
What is the InChIKey of (2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one?
The InChIKey is LIZZJUZGPVNPDD-WZONZLPQSA-N. The full InChI is InChI=1S/C24H17ClO3/c25-17-11-12-20-19(13-17)22(26)24-21(27-20)14-18(15-7-3-1-4-8-15)23(28-24)16-9-5-2-6-10-16/h1-13,18,23H,14H2/t18-,23-/m1/s1.
What are the key properties of (2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one?
(2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one has a molecular weight of 388.85 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-8-chloro-2,3-diphenyl-3,4-dihydro-2H-pyrano[3,2-b]chromen-10-one is sourced from PubChem (CID 177450513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).