ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid

C15H26O3 — CID 144504832

IUPACethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid
SMILESCC.CC.Cc1cc(CCC(=O)O)cc(C)c1O
InChIInChI=1S/C11H14O3.2C2H6/c1-7-5-9(3-4-10(12)13)6-8(2)11(7)14;2*1-2/h5-6,14H,3-4H2,1-2H3,(H,12,13);2*1-2H3
InChIKeyKTLATFRSCGNNIH-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.08
Rot. Bonds3

About ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid

ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid (PubChem CID 144504832) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Nameethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid
PubChem CID144504832
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Nameethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid
SMILESCC.CC.Cc1cc(CCC(=O)O)cc(C)c1O
InChIInChI=1S/C11H14O3.2C2H6/c1-7-5-9(3-4-10(12)13)6-8(2)11(7)14;2*1-2/h5-6,14H,3-4H2,1-2H3,(H,12,13);2*1-2H3
InChIKeyKTLATFRSCGNNIH-UHFFFAOYSA-N
XLogP4.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid
CID 117300165
3-(4-bromo-3,5-dimethylphenyl)propanoic acid
CID 84805494
3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium
CID 59858101
3-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773946
4-(3-bromo-4-hydroxy-5-methylphenyl)butanoic acid
CID 117435012
3,4-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanedioic acid
CID 67989850
3-(5,8-dihydroxy-7-methylnaphthalen-2-yl)propanoic acid
CID 102396278
3-(3-bromo-4-fluoro-5-methylphenyl)propanoic acid
CID 84710392
N,N-dimethyl-3-(3,4,5-trimethylphenyl)propanamide;3-(3,4,5-trimethylphenyl)propanoic acid
CID 161469561
3-(3,5-dipropylphenyl)propanoic acid
CID 58963924
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
3,5-bis(4-hydroxy-3,5-dimethylphenyl)pentanoic acid
CID 174377215

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid?
The IUPAC name of ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid (CID 144504832) is ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid?
The canonical SMILES for ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid is CC.CC.Cc1cc(CCC(=O)O)cc(C)c1O.
What is the InChIKey of ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid?
The InChIKey is KTLATFRSCGNNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.2C2H6/c1-7-5-9(3-4-10(12)13)6-8(2)11(7)14;2*1-2/h5-6,14H,3-4H2,1-2H3,(H,12,13);2*1-2H3.
What are the key properties of ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid?
ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid has a molecular weight of 254.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 144504832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).