(2-phenylphenyl) thiophene-2-carboxylate

C17H12O2S — CID 922979

IUPAC(2-phenylphenyl) thiophene-2-carboxylate
SMILESO=C(Oc1ccccc1-c1ccccc1)c1cccs1
InChIInChI=1S/C17H12O2S/c18-17(16-11-6-12-20-16)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-12H
InChIKeySIOCGDAZDMSEJK-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.63
Rot. Bonds3

About (2-phenylphenyl) thiophene-2-carboxylate

(2-phenylphenyl) thiophene-2-carboxylate (PubChem CID 922979) has the molecular formula C17H12O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is (2-phenylphenyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-phenylphenyl) thiophene-2-carboxylate
PubChem CID922979
Molecular FormulaC17H12O2S
Molecular Weight280.35 g/mol
Exact Mass280.06
IUPAC Name(2-phenylphenyl) thiophene-2-carboxylate
SMILESO=C(Oc1ccccc1-c1ccccc1)c1cccs1
InChIInChI=1S/C17H12O2S/c18-17(16-11-6-12-20-16)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-12H
InChIKeySIOCGDAZDMSEJK-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
[2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate
CID 17138532
CID 172994739
CID 172994739
[2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] thiophene-2-carboxylate
CID 1150660
(2-phenylphenoxy)carbonylsulfonylformic acid
CID 54171746
(4-fluorophenyl) thiophene-2-carboxylate
CID 573740
[2-(pyrimidin-2-ylamino)phenyl] thiophene-2-carboxylate
CID 154635114
diazulen-1-yl butanedioate
CID 91384946
benzoyl thiophene-2-carboxylate
CID 174319053
3-bromo-4-(thiophene-2-carbonyloxy)benzoic acid
CID 54854242
hydron;quinolin-8-yl thiophene-2-carboxylate;chloride
CID 652773
(2,4-dimethylphenyl) thiophene-2-carboxylate
CID 13404169

Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl) thiophene-2-carboxylate?
The IUPAC name of (2-phenylphenyl) thiophene-2-carboxylate (CID 922979) is (2-phenylphenyl) thiophene-2-carboxylate.
What is the SMILES notation for (2-phenylphenyl) thiophene-2-carboxylate?
The canonical SMILES for (2-phenylphenyl) thiophene-2-carboxylate is O=C(Oc1ccccc1-c1ccccc1)c1cccs1.
What is the InChIKey of (2-phenylphenyl) thiophene-2-carboxylate?
The InChIKey is SIOCGDAZDMSEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2S/c18-17(16-11-6-12-20-16)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-12H.
What are the key properties of (2-phenylphenyl) thiophene-2-carboxylate?
(2-phenylphenyl) thiophene-2-carboxylate has a molecular weight of 280.35 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl) thiophene-2-carboxylate is sourced from PubChem (CID 922979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).