2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid

C15H22O3 — CID 106681199

IUPAC2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid
SMILESCCCCC(C(=O)O)c1c(C)cc(C)cc1OC
InChIInChI=1S/C15H22O3/c1-5-6-7-12(15(16)17)14-11(3)8-10(2)9-13(14)18-4/h8-9,12H,5-7H2,1-4H3,(H,16,17)
InChIKeyNSTDNISCQIVZKK-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.67
Rot. Bonds6

About 2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid

2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid (PubChem CID 106681199) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid.

Molecular Properties

Compound Name2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid
PubChem CID106681199
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid
SMILESCCCCC(C(=O)O)c1c(C)cc(C)cc1OC
InChIInChI=1S/C15H22O3/c1-5-6-7-12(15(16)17)14-11(3)8-10(2)9-13(14)18-4/h8-9,12H,5-7H2,1-4H3,(H,16,17)
InChIKeyNSTDNISCQIVZKK-UHFFFAOYSA-N
XLogP3.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol
CID 106682520
2-(2,6-dimethylphenyl)hexanoic acid
CID 66815407
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
2-(2,4-dimethylphenyl)hexanoic acid
CID 69334667
2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid
CID 82476708
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine
CID 171215923
2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid
CID 103434197
2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
CID 15709414
4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938518
1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol
CID 106680167
2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid
CID 120510198

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid?
The IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid (CID 106681199) is 2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid.
What is the SMILES notation for 2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid?
The canonical SMILES for 2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid is CCCCC(C(=O)O)c1c(C)cc(C)cc1OC.
What is the InChIKey of 2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid?
The InChIKey is NSTDNISCQIVZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-6-7-12(15(16)17)14-11(3)8-10(2)9-13(14)18-4/h8-9,12H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid?
2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid is sourced from PubChem (CID 106681199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).