2-phenylethylbenzene;thiophene-2-carboxylic acid

C19H18O2S — CID 175841387

IUPAC2-phenylethylbenzene;thiophene-2-carboxylic acid
SMILESO=C(O)c1cccs1.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14.C5H4O2S/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;6-5(7)4-2-1-3-8-4/h1-10H,11-12H2;1-3H,(H,6,7)
InChIKeyOCZGURCOLPKXKZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.92
Rot. Bonds4

About 2-phenylethylbenzene;thiophene-2-carboxylic acid

2-phenylethylbenzene;thiophene-2-carboxylic acid (PubChem CID 175841387) has the molecular formula C19H18O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-phenylethylbenzene;thiophene-2-carboxylic acid.

Molecular Properties

Compound Name2-phenylethylbenzene;thiophene-2-carboxylic acid
PubChem CID175841387
Molecular FormulaC19H18O2S
Molecular Weight310.42 g/mol
Exact Mass310.10
IUPAC Name2-phenylethylbenzene;thiophene-2-carboxylic acid
SMILESO=C(O)c1cccs1.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14.C5H4O2S/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;6-5(7)4-2-1-3-8-4/h1-10H,11-12H2;1-3H,(H,6,7)
InChIKeyOCZGURCOLPKXKZ-UHFFFAOYSA-N
XLogP4.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethylbenzene;thiophene-2-carboxylic acid?
The IUPAC name of 2-phenylethylbenzene;thiophene-2-carboxylic acid (CID 175841387) is 2-phenylethylbenzene;thiophene-2-carboxylic acid.
What is the SMILES notation for 2-phenylethylbenzene;thiophene-2-carboxylic acid?
The canonical SMILES for 2-phenylethylbenzene;thiophene-2-carboxylic acid is O=C(O)c1cccs1.c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 2-phenylethylbenzene;thiophene-2-carboxylic acid?
The InChIKey is OCZGURCOLPKXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C5H4O2S/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;6-5(7)4-2-1-3-8-4/h1-10H,11-12H2;1-3H,(H,6,7).
What are the key properties of 2-phenylethylbenzene;thiophene-2-carboxylic acid?
2-phenylethylbenzene;thiophene-2-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethylbenzene;thiophene-2-carboxylic acid is sourced from PubChem (CID 175841387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).