ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid

C15H24O3 — CID 144819636

IUPACethane;2-methyl-3-(4-propoxyphenyl)propanoic acid
SMILESCC.CCCOc1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C13H18O3.C2H6/c1-3-8-16-12-6-4-11(5-7-12)9-10(2)13(14)15;1-2/h4-7,10H,3,8-9H2,1-2H3,(H,14,15);1-2H3
InChIKeyBUYWIIFTLAWZFM-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.76
Rot. Bonds6

About ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid

ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid (PubChem CID 144819636) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Nameethane;2-methyl-3-(4-propoxyphenyl)propanoic acid
PubChem CID144819636
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Nameethane;2-methyl-3-(4-propoxyphenyl)propanoic acid
SMILESCC.CCCOc1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C13H18O3.C2H6/c1-3-8-16-12-6-4-11(5-7-12)9-10(2)13(14)15;1-2/h4-7,10H,3,8-9H2,1-2H3,(H,14,15);1-2H3
InChIKeyBUYWIIFTLAWZFM-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]phenyl]-2-methylpropanoic acid
CID 23591487
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
2-(4-tert-butylphenyl)-3-(4-propoxyphenyl)propanoic acid
CID 67490583
2-[4-[(2S)-2-carboxypropyl]phenoxy]propanedioic acid
CID 71228186
1-(3-bromo-2-methylpropyl)-4-propoxybenzene
CID 64673355
ethane;2-methyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid
CID 142194124
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
2-chloro-2-(4-propoxyphenyl)acetic acid
CID 82288302
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
(2S)-2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid
CID 58572945
2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid
CID 19764531
1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid?
The IUPAC name of ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid (CID 144819636) is ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid.
What is the SMILES notation for ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid?
The canonical SMILES for ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid is CC.CCCOc1ccc(CC(C)C(=O)O)cc1.
What is the InChIKey of ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid?
The InChIKey is BUYWIIFTLAWZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3.C2H6/c1-3-8-16-12-6-4-11(5-7-12)9-10(2)13(14)15;1-2/h4-7,10H,3,8-9H2,1-2H3,(H,14,15);1-2H3.
What are the key properties of ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid?
ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid has a molecular weight of 252.35 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid is sourced from PubChem (CID 144819636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).