ethane;3-(4-phenylphenyl)propanoic acid

C17H20O2 — CID 91257280

IUPACethane;3-(4-phenylphenyl)propanoic acid
SMILESCC.O=C(O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14O2.C2H6/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13;1-2/h1-7,9-10H,8,11H2,(H,16,17);1-2H3
InChIKeyNDJQEWRRLQVEFP-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.40
Rot. Bonds4

About ethane;3-(4-phenylphenyl)propanoic acid

ethane;3-(4-phenylphenyl)propanoic acid (PubChem CID 91257280) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is ethane;3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Nameethane;3-(4-phenylphenyl)propanoic acid
PubChem CID91257280
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Nameethane;3-(4-phenylphenyl)propanoic acid
SMILESCC.O=C(O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14O2.C2H6/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13;1-2/h1-7,9-10H,8,11H2,(H,16,17);1-2H3
InChIKeyNDJQEWRRLQVEFP-UHFFFAOYSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
1-(4-phenylphenyl)pentan-3-one
CID 58444061
lanthanum;3-phenylpropanoic acid
CID 174887955
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
butane;ethane;3-(4-methylphenyl)propanoic acid
CID 143489809
3-[4-(4-heptylphenyl)phenyl]propanoic acid
CID 21182264
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
disodium;bis(3-(4-phenylphenyl)propanoate);hydrate
CID 159268248
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-phenylphenyl)propanoic acid?
The IUPAC name of ethane;3-(4-phenylphenyl)propanoic acid (CID 91257280) is ethane;3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for ethane;3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for ethane;3-(4-phenylphenyl)propanoic acid is CC.O=C(O)CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethane;3-(4-phenylphenyl)propanoic acid?
The InChIKey is NDJQEWRRLQVEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.C2H6/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13;1-2/h1-7,9-10H,8,11H2,(H,16,17);1-2H3.
What are the key properties of ethane;3-(4-phenylphenyl)propanoic acid?
ethane;3-(4-phenylphenyl)propanoic acid has a molecular weight of 256.34 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 91257280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).