(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide

C18H16BO2S- — CID 158491316

IUPAC(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
SMILESO=C(c1ccccc1)c1ccc(C(=O)c2ccccc2)s1.[BH4-]
InChIInChI=1S/C18H12O2S.BH4/c19-17(13-7-3-1-4-8-13)15-11-12-16(21-15)18(20)14-9-5-2-6-10-14;/h1-12H;1H4/q;-1
InChIKeyHISPSCUSFQHAIP-UHFFFAOYSA-N
MW307.20 g/mol
LogP2.76
Rot. Bonds4

About (5-benzoylthiophen-2-yl)-phenylmethanone;boranuide

(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide (PubChem CID 158491316) has the molecular formula C18H16BO2S- and a molecular weight of 307.20 g/mol. Its IUPAC name is (5-benzoylthiophen-2-yl)-phenylmethanone;boranuide.

Molecular Properties

Compound Name(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
PubChem CID158491316
Molecular FormulaC18H16BO2S-
Molecular Weight307.20 g/mol
Exact Mass307.10
IUPAC Name(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
SMILESO=C(c1ccccc1)c1ccc(C(=O)c2ccccc2)s1.[BH4-]
InChIInChI=1S/C18H12O2S.BH4/c19-17(13-7-3-1-4-8-13)15-11-12-16(21-15)18(20)14-9-5-2-6-10-14;/h1-12H;1H4/q;-1
InChIKeyHISPSCUSFQHAIP-UHFFFAOYSA-N
XLogP2.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-benzoylthiophen-2-yl)acetic acid
CID 3751763
diphenylmethanone
CID 3102
[5-(2-aminoethyl)thiophen-2-yl]-phenylmethanone;hydrobromide
CID 72716719
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
[5-[(2S)-1-hydroxypropan-2-yl]thiophen-2-yl]-phenylmethanone
CID 151984178
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
2-(5-benzoylthiophen-2-yl)propanenitrile
CID 67369420
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
methyl 2-(5-benzoylthiophen-2-yl)propanoate
CID 527330

Frequently Asked Questions

What is the IUPAC name of (5-benzoylthiophen-2-yl)-phenylmethanone;boranuide?
The IUPAC name of (5-benzoylthiophen-2-yl)-phenylmethanone;boranuide (CID 158491316) is (5-benzoylthiophen-2-yl)-phenylmethanone;boranuide.
What is the SMILES notation for (5-benzoylthiophen-2-yl)-phenylmethanone;boranuide?
The canonical SMILES for (5-benzoylthiophen-2-yl)-phenylmethanone;boranuide is O=C(c1ccccc1)c1ccc(C(=O)c2ccccc2)s1.[BH4-].
What is the InChIKey of (5-benzoylthiophen-2-yl)-phenylmethanone;boranuide?
The InChIKey is HISPSCUSFQHAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2S.BH4/c19-17(13-7-3-1-4-8-13)15-11-12-16(21-15)18(20)14-9-5-2-6-10-14;/h1-12H;1H4/q;-1.
What are the key properties of (5-benzoylthiophen-2-yl)-phenylmethanone;boranuide?
(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide has a molecular weight of 307.20 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoylthiophen-2-yl)-phenylmethanone;boranuide is sourced from PubChem (CID 158491316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).