(4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one

C21H18O3 — CID 132917425

IUPAC(4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one
SMILESO=C1C(c2ccccc2)=C2C(=C1c1ccccc1)[C@@H](O)CC[C@@H]2O
InChIInChI=1S/C21H18O3/c22-15-11-12-16(23)20-18(14-9-5-2-6-10-14)21(24)17(19(15)20)13-7-3-1-4-8-13/h1-10,15-16,22-23H,11-12H2/t15-,16-/m0/s1
InChIKeyGQTIQNMACZVPLZ-HOTGVXAUSA-N
MW318.37 g/mol
LogP2.99
Rot. Bonds2

About (4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one

(4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one (PubChem CID 132917425) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is (4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one.

Molecular Properties

Compound Name(4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one
PubChem CID132917425
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name(4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one
SMILESO=C1C(c2ccccc2)=C2C(=C1c1ccccc1)[C@@H](O)CC[C@@H]2O
InChIInChI=1S/C21H18O3/c22-15-11-12-16(23)20-18(14-9-5-2-6-10-14)21(24)17(19(15)20)13-7-3-1-4-8-13/h1-10,15-16,22-23H,11-12H2/t15-,16-/m0/s1
InChIKeyGQTIQNMACZVPLZ-HOTGVXAUSA-N
XLogP2.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 91380826
2-cyclooctyl-3-phenylnaphthalene-1,4-dione
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3,4,18,19-tetraphenylheptacyclo[26.2.2.26,9.213,16.221,24.12,5.117,20]tetraconta-1(30),2,4,6(39),7,9(38),13(37),14,16(36),17,19,21,23,28,31,33-hexadecaene-11,26,35,40-tetrone
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2,5-bis(4-ethylphenyl)-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 13263066
3,4-bis(4-fluorophenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
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4-[5-oxo-2,3-diphenyl-4-(4-sulfonatophenyl)cyclopenta-1,3-dien-1-yl]benzenesulfonate
CID 122371299
4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one
CID 89382687
3-[4-[4-[3-oxo-5-[4-[4-[3-oxo-2,5-diphenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,4-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one
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CID 142347274

Frequently Asked Questions

What is the IUPAC name of (4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one?
The IUPAC name of (4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one (CID 132917425) is (4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one.
What is the SMILES notation for (4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one?
The canonical SMILES for (4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one is O=C1C(c2ccccc2)=C2C(=C1c1ccccc1)[C@@H](O)CC[C@@H]2O.
What is the InChIKey of (4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one?
The InChIKey is GQTIQNMACZVPLZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H18O3/c22-15-11-12-16(23)20-18(14-9-5-2-6-10-14)21(24)17(19(15)20)13-7-3-1-4-8-13/h1-10,15-16,22-23H,11-12H2/t15-,16-/m0/s1.
What are the key properties of (4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one?
(4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one has a molecular weight of 318.37 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one is sourced from PubChem (CID 132917425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).