butane;ethane;3-(4-methylphenyl)propanoic acid

C16H28O2 — CID 143489809

IUPACbutane;ethane;3-(4-methylphenyl)propanoic acid
SMILESCC.CCCC.Cc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C10H12O2.C4H10.C2H6/c1-8-2-4-9(5-3-8)6-7-10(11)12;1-3-4-2;1-2/h2-5H,6-7H2,1H3,(H,11,12);3-4H2,1-2H3;1-2H3
InChIKeyYLDSGMLZRYBBPJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.84
Rot. Bonds4

About butane;ethane;3-(4-methylphenyl)propanoic acid

butane;ethane;3-(4-methylphenyl)propanoic acid (PubChem CID 143489809) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is butane;ethane;3-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Namebutane;ethane;3-(4-methylphenyl)propanoic acid
PubChem CID143489809
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Namebutane;ethane;3-(4-methylphenyl)propanoic acid
SMILESCC.CCCC.Cc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C10H12O2.C4H10.C2H6/c1-8-2-4-9(5-3-8)6-7-10(11)12;1-3-4-2;1-2/h2-5H,6-7H2,1H3,(H,11,12);3-4H2,1-2H3;1-2H3
InChIKeyYLDSGMLZRYBBPJ-UHFFFAOYSA-N
XLogP4.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-(4-methylphenyl)hexan-3-one
CID 143103433
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
10-(4-methylphenyl)decanoic acid
CID 54262490
3-[4-(4-heptylphenyl)phenyl]propanoic acid
CID 21182264
ethane;3-(4-methylphenyl)propanamide
CID 142510251
1-hydroxy-4-(4-methylphenyl)butan-2-one
CID 22628483
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
butane;ethane;1-methyl-4-propylbenzene;propane
CID 142050311
ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane
CID 176991202
hexanoic acid;1,4-xylene
CID 23205671
3-[4-(4-methylphenyl)butanoyl-propylamino]propanoic acid
CID 82326079

Frequently Asked Questions

What is the IUPAC name of butane;ethane;3-(4-methylphenyl)propanoic acid?
The IUPAC name of butane;ethane;3-(4-methylphenyl)propanoic acid (CID 143489809) is butane;ethane;3-(4-methylphenyl)propanoic acid.
What is the SMILES notation for butane;ethane;3-(4-methylphenyl)propanoic acid?
The canonical SMILES for butane;ethane;3-(4-methylphenyl)propanoic acid is CC.CCCC.Cc1ccc(CCC(=O)O)cc1.
What is the InChIKey of butane;ethane;3-(4-methylphenyl)propanoic acid?
The InChIKey is YLDSGMLZRYBBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C4H10.C2H6/c1-8-2-4-9(5-3-8)6-7-10(11)12;1-3-4-2;1-2/h2-5H,6-7H2,1H3,(H,11,12);3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;3-(4-methylphenyl)propanoic acid?
butane;ethane;3-(4-methylphenyl)propanoic acid has a molecular weight of 252.40 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;3-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 143489809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).