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

C14H20O3 — CID 112501926

IUPAC3-(2-methoxy-5-methylphenyl)hexanoic acid
SMILESCCCC(CC(=O)O)c1cc(C)ccc1OC
InChIInChI=1S/C14H20O3/c1-4-5-11(9-14(15)16)12-8-10(2)6-7-13(12)17-3/h6-8,11H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyCWTOSQRKRSVEOJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.36
Rot. Bonds6

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

3-(2-methoxy-5-methylphenyl)hexanoic acid (PubChem CID 112501926) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)hexanoic acid.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)hexanoic acid
PubChem CID112501926
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(2-methoxy-5-methylphenyl)hexanoic acid
SMILESCCCC(CC(=O)O)c1cc(C)ccc1OC
InChIInChI=1S/C14H20O3/c1-4-5-11(9-14(15)16)12-8-10(2)6-7-13(12)17-3/h6-8,11H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyCWTOSQRKRSVEOJ-UHFFFAOYSA-N
XLogP3.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
3-chloro-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366778
3-(2-ethoxy-5-methylphenyl)pentanoic acid
CID 83958110
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
3-[2-(aminomethyl)-4-methylphenyl]hexanoic acid
CID 142774633
3-[2-methoxy-4-(trifluoromethyl)phenyl]hexanoic acid
CID 83949778
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
3-(5-tert-butyl-2-ethoxyphenyl)hexanoic acid
CID 83958349
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
3-(4-methylphenyl)hexanoic acid
CID 23456891
3-(3-methoxy-4-propoxyphenyl)hexanoic acid
CID 83958717
3-(5-methyl-1H-indol-3-yl)hexanoic acid
CID 142468464

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)hexanoic acid?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)hexanoic acid (CID 112501926) is 3-(2-methoxy-5-methylphenyl)hexanoic acid.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)hexanoic acid?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)hexanoic acid is CCCC(CC(=O)O)c1cc(C)ccc1OC.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)hexanoic acid?
The InChIKey is CWTOSQRKRSVEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-5-11(9-14(15)16)12-8-10(2)6-7-13(12)17-3/h6-8,11H,4-5,9H2,1-3H3,(H,15,16).
What are the key properties of 3-(2-methoxy-5-methylphenyl)hexanoic acid?
3-(2-methoxy-5-methylphenyl)hexanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)hexanoic acid is sourced from PubChem (CID 112501926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).