4-(4-methylphenoxy)pentanoic acid

C12H16O3 — CID 62214144

IUPAC4-(4-methylphenoxy)pentanoic acid
SMILESCc1ccc(OC(C)CCC(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-9-3-6-11(7-4-9)15-10(2)5-8-12(13)14/h3-4,6-7,10H,5,8H2,1-2H3,(H,13,14)
InChIKeyKTXPGRLMVCUKDX-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.63
Rot. Bonds5

About 4-(4-methylphenoxy)pentanoic acid

4-(4-methylphenoxy)pentanoic acid (PubChem CID 62214144) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(4-methylphenoxy)pentanoic acid.

Molecular Properties

Compound Name4-(4-methylphenoxy)pentanoic acid
PubChem CID62214144
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-(4-methylphenoxy)pentanoic acid
SMILESCc1ccc(OC(C)CCC(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-9-3-6-11(7-4-9)15-10(2)5-8-12(13)14/h3-4,6-7,10H,5,8H2,1-2H3,(H,13,14)
InChIKeyKTXPGRLMVCUKDX-UHFFFAOYSA-N
XLogP2.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid
CID 62214691
(3S)-3-[4-(4-methylphenoxy)phenoxy]butanoic acid
CID 103547877
4-(4-bromo-3,5-dimethylphenoxy)pentanoic acid
CID 107722381
4-(3-chloro-4-cyanophenoxy)pentanoic acid
CID 102723946
4-(5-methyl-2-nitrophenoxy)pentanoic acid
CID 62214693
4-[3-(methoxymethyl)phenoxy]pentanoic acid
CID 63986541
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
2-(4-methylphenoxy)propyl 2,3-dimethylbutanoate
CID 169153466
methyl 4-(4-hydroxyphenoxy)pentanoate
CID 12919284
methyl 3-[4-(4-methylphenyl)phenoxy]butanoate
CID 43536216
2-[4-[(2R)-pentan-2-yl]oxyphenyl]acetic acid
CID 124632287
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)pentanoic acid?
The IUPAC name of 4-(4-methylphenoxy)pentanoic acid (CID 62214144) is 4-(4-methylphenoxy)pentanoic acid.
What is the SMILES notation for 4-(4-methylphenoxy)pentanoic acid?
The canonical SMILES for 4-(4-methylphenoxy)pentanoic acid is Cc1ccc(OC(C)CCC(=O)O)cc1.
What is the InChIKey of 4-(4-methylphenoxy)pentanoic acid?
The InChIKey is KTXPGRLMVCUKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-3-6-11(7-4-9)15-10(2)5-8-12(13)14/h3-4,6-7,10H,5,8H2,1-2H3,(H,13,14).
What are the key properties of 4-(4-methylphenoxy)pentanoic acid?
4-(4-methylphenoxy)pentanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)pentanoic acid is sourced from PubChem (CID 62214144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).