2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid

C23H32O4 — CID 67823371

IUPAC2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid
SMILESCC(C)C.CC(CC(=O)O)c1ccccc1.O=C(O)CCc1ccccc1
InChIInChI=1S/C10H12O2.C9H10O2.C4H10/c1-8(7-10(11)12)9-5-3-2-4-6-9;10-9(11)7-6-8-4-2-1-3-5-8;1-4(2)3/h2-6,8H,7H2,1H3,(H,11,12);1-5H,6-7H2,(H,10,11);4H,1-3H3
InChIKeyGUVBUAKYTVPABU-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.63
Rot. Bonds6

About 2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid

2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid (PubChem CID 67823371) has the molecular formula C23H32O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid.

Molecular Properties

Compound Name2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid
PubChem CID67823371
Molecular FormulaC23H32O4
Molecular Weight372.51 g/mol
Exact Mass372.23
IUPAC Name2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid
SMILESCC(C)C.CC(CC(=O)O)c1ccccc1.O=C(O)CCc1ccccc1
InChIInChI=1S/C10H12O2.C9H10O2.C4H10/c1-8(7-10(11)12)9-5-3-2-4-6-9;10-9(11)7-6-8-4-2-1-3-5-8;1-4(2)3/h2-6,8H,7H2,1H3,(H,11,12);1-5H,6-7H2,(H,10,11);4H,1-3H3
InChIKeyGUVBUAKYTVPABU-UHFFFAOYSA-N
XLogP5.63
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
lanthanum;3-phenylpropanoic acid
CID 174887955
(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 40591277
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-[3-(fluoromethyl)phenyl]butanoic acid
CID 84666853
4-(1,5-diphenylhexan-3-ylidene)cyclohexa-2,5-dien-1-one
CID 101129053
methanol;3-phenylpropanoic acid;prop-1-yne
CID 167587134
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776
(3S)-3-phenylbutanoate
CID 6950118
(3R)-3,5-diphenylpentanoic acid
CID 821797
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide
CID 11359314
[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid?
The IUPAC name of 2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid (CID 67823371) is 2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid.
What is the SMILES notation for 2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid?
The canonical SMILES for 2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid is CC(C)C.CC(CC(=O)O)c1ccccc1.O=C(O)CCc1ccccc1.
What is the InChIKey of 2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid?
The InChIKey is GUVBUAKYTVPABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C9H10O2.C4H10/c1-8(7-10(11)12)9-5-3-2-4-6-9;10-9(11)7-6-8-4-2-1-3-5-8;1-4(2)3/h2-6,8H,7H2,1H3,(H,11,12);1-5H,6-7H2,(H,10,11);4H,1-3H3.
What are the key properties of 2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid?
2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid has a molecular weight of 372.51 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;3-phenylbutanoic acid;3-phenylpropanoic acid is sourced from PubChem (CID 67823371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).