5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid

C14H19ClO3 — CID 112512992

IUPAC5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid
SMILESCOc1c(C)cc(Cl)cc1C(C)CCCC(=O)O
InChIInChI=1S/C14H19ClO3/c1-9(5-4-6-13(16)17)12-8-11(15)7-10(2)14(12)18-3/h7-9H,4-6H2,1-3H3,(H,16,17)
InChIKeyPWAGLAFWELCHNU-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.02
Rot. Bonds6

About 5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid

5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid (PubChem CID 112512992) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid.

Molecular Properties

Compound Name5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid
PubChem CID112512992
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid
SMILESCOc1c(C)cc(Cl)cc1C(C)CCCC(=O)O
InChIInChI=1S/C14H19ClO3/c1-9(5-4-6-13(16)17)12-8-11(15)7-10(2)14(12)18-3/h7-9H,4-6H2,1-3H3,(H,16,17)
InChIKeyPWAGLAFWELCHNU-UHFFFAOYSA-N
XLogP4.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methoxy-3-methylphenyl)butanoic acid
CID 82293511
5-(4-chloro-2,6-dimethylphenoxy)pentanoic acid
CID 28971752
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoic acid
CID 82265884
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926918
5-(5-fluoro-2-methoxyphenyl)hexanoic acid
CID 112512385
5-(2,3-dimethylphenyl)hexanoic acid
CID 68852167
2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide
CID 116848462
amino-(5-chloro-2-methoxy-3-methylphenyl)methanethiol
CID 116939486
2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid
CID 83899428
(E)-4-(5-chloro-2-methoxy-3-methylphenyl)-4-(methylamino)but-2-enoic acid
CID 116956330
5,5-bis(4-hydroxy-3,5-dimethylphenyl)pentanoic acid
CID 57316955
4-amino-4-(4-chloro-2-methoxy-3,5-dimethylphenyl)butanoic acid
CID 117432164

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid?
The IUPAC name of 5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid (CID 112512992) is 5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid.
What is the SMILES notation for 5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid?
The canonical SMILES for 5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid is COc1c(C)cc(Cl)cc1C(C)CCCC(=O)O.
What is the InChIKey of 5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid?
The InChIKey is PWAGLAFWELCHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-9(5-4-6-13(16)17)12-8-11(15)7-10(2)14(12)18-3/h7-9H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid?
5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid has a molecular weight of 270.76 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid is sourced from PubChem (CID 112512992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).