(7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one

C21H16O3 — CID 102355318

IUPAC(7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c3c(ccc12)O[C@@H]1C=CCC[C@H]31
InChIInChI=1S/C21H16O3/c22-16-12-19(13-6-2-1-3-7-13)24-21-14(16)10-11-18-20(21)15-8-4-5-9-17(15)23-18/h1-3,5-7,9-12,15,17H,4,8H2/t15-,17+/m0/s1
InChIKeyKHKTYYHFXGRFIV-DOTOQJQBSA-N
MW316.36 g/mol
LogP4.65
Rot. Bonds1

About (7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one

(7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one (PubChem CID 102355318) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one.

Molecular Properties

Compound Name(7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one
PubChem CID102355318
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name(7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c3c(ccc12)O[C@@H]1C=CCC[C@H]31
InChIInChI=1S/C21H16O3/c22-16-12-19(13-6-2-1-3-7-13)24-21-14(16)10-11-18-20(21)15-8-4-5-9-17(15)23-18/h1-3,5-7,9-12,15,17H,4,8H2/t15-,17+/m0/s1
InChIKeyKHKTYYHFXGRFIV-DOTOQJQBSA-N
XLogP4.65
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one with MolForge

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

Launch Full Analysis

Related Compounds

(7aS,11aS)-4-methyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-2-one
CID 101332782
10-phenylpyrano[3,2-i][1,3,5]benzotrioxepine-2,4,8-trione
CID 90117549
2-phenyl-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one
CID 102355326
(8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one
CID 177470234
7,8-dihydroxy-2-phenylchromen-4-one
CID 1880
8-phenylfuro[3,2-h]chromen-6-one
CID 162925153
8-(hydroxymethyl)-2-phenylchromen-4-one
CID 141073629
2-phenylchromen-4-one
CID 90124083
2-phenylthieno[2,3-h]chromen-4-one
CID 5274461
8-benzyl-2-phenylchromen-4-one
CID 69123022
copper;2-phenylchromen-4-one
CID 175169427
(8R)-8-ethenyl-8-methyl-2-phenyl-9H-furo[2,3-h]chromen-4-one
CID 101371809

Frequently Asked Questions

What is the IUPAC name of (7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one?
The IUPAC name of (7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one (CID 102355318) is (7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one.
What is the SMILES notation for (7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one?
The canonical SMILES for (7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one is O=c1cc(-c2ccccc2)oc2c3c(ccc12)O[C@@H]1C=CCC[C@H]31.
What is the InChIKey of (7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one?
The InChIKey is KHKTYYHFXGRFIV-DOTOQJQBSA-N. The full InChI is InChI=1S/C21H16O3/c22-16-12-19(13-6-2-1-3-7-13)24-21-14(16)10-11-18-20(21)15-8-4-5-9-17(15)23-18/h1-3,5-7,9-12,15,17H,4,8H2/t15-,17+/m0/s1.
What are the key properties of (7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one?
(7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one has a molecular weight of 316.36 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one is sourced from PubChem (CID 102355318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).