3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid

C14H19ClO3 — CID 82306007

IUPAC3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid
SMILESCOc1cc(C)c(Cl)cc1C(CC(=O)O)C(C)C
InChIInChI=1S/C14H19ClO3/c1-8(2)10(7-14(16)17)11-6-12(15)9(3)5-13(11)18-4/h5-6,8,10H,7H2,1-4H3,(H,16,17)
InChIKeyGLYJWDWPYXDCBR-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.87
Rot. Bonds5

About 3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid

3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid (PubChem CID 82306007) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid
PubChem CID82306007
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid
SMILESCOc1cc(C)c(Cl)cc1C(CC(=O)O)C(C)C
InChIInChI=1S/C14H19ClO3/c1-8(2)10(7-14(16)17)11-6-12(15)9(3)5-13(11)18-4/h5-6,8,10H,7H2,1-4H3,(H,16,17)
InChIKeyGLYJWDWPYXDCBR-UHFFFAOYSA-N
XLogP3.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate
CID 112509425
3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid
CID 19348600
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
3-amino-3-(5-chloro-2-ethoxy-4-methylphenyl)propanoic acid
CID 4021596
3-(2,5-dichloro-4-methoxyphenyl)butanoic acid
CID 82303091
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 116863542
2-bromo-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82489786
3-amino-4-hydroxy-4-(2-methoxy-4,5-dimethylphenyl)butanoic acid
CID 82350007
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116926751
2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid
CID 82482100
3-(2-chloro-4,5-dimethoxyphenyl)butanoic acid
CID 83959363

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid?
The IUPAC name of 3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid (CID 82306007) is 3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid.
What is the SMILES notation for 3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid?
The canonical SMILES for 3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid is COc1cc(C)c(Cl)cc1C(CC(=O)O)C(C)C.
What is the InChIKey of 3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid?
The InChIKey is GLYJWDWPYXDCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-8(2)10(7-14(16)17)11-6-12(15)9(3)5-13(11)18-4/h5-6,8,10H,7H2,1-4H3,(H,16,17).
What are the key properties of 3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid?
3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid has a molecular weight of 270.76 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid is sourced from PubChem (CID 82306007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).