(2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene]

C24H22O4 — CID 24858298

IUPAC(2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene]
SMILESCOc1ccc2c(c1)O[C@]1(CC2)O[C@@H](c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C24H22O4/c1-25-20-13-12-17-14-15-24(27-21(17)16-20)22(18-8-4-2-5-9-18)26-23(28-24)19-10-6-3-7-11-19/h2-13,16,22-23H,14-15H2,1H3/t22-,23-,24+/m0/s1
InChIKeyKZIXTVCCPIJBKJ-KMDXXIMOSA-N
MW374.44 g/mol
LogP5.20
Rot. Bonds3

About (2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene]

(2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene] (PubChem CID 24858298) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene].

Molecular Properties

Compound Name(2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene]
PubChem CID24858298
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name(2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene]
SMILESCOc1ccc2c(c1)O[C@]1(CC2)O[C@@H](c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C24H22O4/c1-25-20-13-12-17-14-15-24(27-21(17)16-20)22(18-8-4-2-5-9-18)26-23(28-24)19-10-6-3-7-11-19/h2-13,16,22-23H,14-15H2,1H3/t22-,23-,24+/m0/s1
InChIKeyKZIXTVCCPIJBKJ-KMDXXIMOSA-N
XLogP5.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene]?
The IUPAC name of (2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene] (CID 24858298) is (2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene].
What is the SMILES notation for (2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene]?
The canonical SMILES for (2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene] is COc1ccc2c(c1)O[C@]1(CC2)O[C@@H](c2ccccc2)O[C@H]1c1ccccc1.
What is the InChIKey of (2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene]?
The InChIKey is KZIXTVCCPIJBKJ-KMDXXIMOSA-N. The full InChI is InChI=1S/C24H22O4/c1-25-20-13-12-17-14-15-24(27-21(17)16-20)22(18-8-4-2-5-9-18)26-23(28-24)19-10-6-3-7-11-19/h2-13,16,22-23H,14-15H2,1H3/t22-,23-,24+/m0/s1.
What are the key properties of (2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene]?
(2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene] has a molecular weight of 374.44 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-7'-methoxy-2,5-diphenylspiro[1,3-dioxolane-4,2'-3,4-dihydrochromene] is sourced from PubChem (CID 24858298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).