5-(2,3-dimethylphenyl)hexanoic acid

C14H20O2 — CID 68852167

IUPAC5-(2,3-dimethylphenyl)hexanoic acid
SMILESCc1cccc(C(C)CCCC(=O)O)c1C
InChIInChI=1S/C14H20O2/c1-10-6-4-8-13(12(10)3)11(2)7-5-9-14(15)16/h4,6,8,11H,5,7,9H2,1-3H3,(H,15,16)
InChIKeyRXNVZWMQNMQHRB-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.66
Rot. Bonds5

About 5-(2,3-dimethylphenyl)hexanoic acid

5-(2,3-dimethylphenyl)hexanoic acid (PubChem CID 68852167) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)hexanoic acid.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)hexanoic acid
PubChem CID68852167
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name5-(2,3-dimethylphenyl)hexanoic acid
SMILESCc1cccc(C(C)CCCC(=O)O)c1C
InChIInChI=1S/C14H20O2/c1-10-6-4-8-13(12(10)3)11(2)7-5-9-14(15)16/h4,6,8,11H,5,7,9H2,1-3H3,(H,15,16)
InChIKeyRXNVZWMQNMQHRB-UHFFFAOYSA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dimethylphenyl)dodecanedioic acid
CID 67454314
2-(2-methylphenyl)hexanedioic acid
CID 135381848
2-amino-4-(2,3-dimethylphenyl)-2-methylpentanoic acid
CID 150425613
2-(3-heptan-2-yl-2-methylphenyl)acetic acid
CID 175100032
2-(2,3-dimethylphenyl)butanedioic acid
CID 70454411
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid
CID 82845745
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid
CID 171877230
CID 167634596
CID 167634596
4-[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61200589
2-[(2,3-dimethylphenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 62396265
1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene
CID 139620265
(2S)-2-(2,3-dimethylphenyl)propanoyl chloride
CID 177150078

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)hexanoic acid?
The IUPAC name of 5-(2,3-dimethylphenyl)hexanoic acid (CID 68852167) is 5-(2,3-dimethylphenyl)hexanoic acid.
What is the SMILES notation for 5-(2,3-dimethylphenyl)hexanoic acid?
The canonical SMILES for 5-(2,3-dimethylphenyl)hexanoic acid is Cc1cccc(C(C)CCCC(=O)O)c1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)hexanoic acid?
The InChIKey is RXNVZWMQNMQHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10-6-4-8-13(12(10)3)11(2)7-5-9-14(15)16/h4,6,8,11H,5,7,9H2,1-3H3,(H,15,16).
What are the key properties of 5-(2,3-dimethylphenyl)hexanoic acid?
5-(2,3-dimethylphenyl)hexanoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)hexanoic acid is sourced from PubChem (CID 68852167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).