5-(2-methoxyphenyl)pentanoic acid

C12H16O3 — CID 25050817

IUPAC5-(2-methoxyphenyl)pentanoic acid
SMILESCOc1ccccc1CCCCC(=O)O
InChIInChI=1S/C12H16O3/c1-15-11-8-4-2-6-10(11)7-3-5-9-12(13)14/h2,4,6,8H,3,5,7,9H2,1H3,(H,13,14)
InChIKeyRWRMHXUTXNHHID-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.49
Rot. Bonds6

About 5-(2-methoxyphenyl)pentanoic acid

5-(2-methoxyphenyl)pentanoic acid (PubChem CID 25050817) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name5-(2-methoxyphenyl)pentanoic acid
PubChem CID25050817
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name5-(2-methoxyphenyl)pentanoic acid
SMILESCOc1ccccc1CCCCC(=O)O
InChIInChI=1S/C12H16O3/c1-15-11-8-4-2-6-10(11)7-3-5-9-12(13)14/h2,4,6,8H,3,5,7,9H2,1H3,(H,13,14)
InChIKeyRWRMHXUTXNHHID-UHFFFAOYSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(2-methoxyphenyl)heptanoic acid
CID 59451681
ethyl 5-(2-methoxyphenyl)pentanoate;5-(2-methoxyphenyl)pentanoic acid
CID 161019500
8-(3-methoxy-2-methoxycarbonylphenyl)octanoic acid
CID 133052556
4-(3-methoxy-2-methylphenyl)butanoic acid
CID 18626500
4-(2,3-dimethoxyphenyl)butanoic acid;hydrochloride
CID 139764480
5-(5-chloro-2-methoxyphenyl)pentanoic acid
CID 93186212
4-(2-benzyl-3-methoxyphenyl)butanoic acid
CID 22324958
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
4-(2-methoxyphenyl)-1-phenylbutan-1-ol
CID 64513742
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
1-methoxy-2-tetradecylbenzene
CID 69169530

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)pentanoic acid?
The IUPAC name of 5-(2-methoxyphenyl)pentanoic acid (CID 25050817) is 5-(2-methoxyphenyl)pentanoic acid.
What is the SMILES notation for 5-(2-methoxyphenyl)pentanoic acid?
The canonical SMILES for 5-(2-methoxyphenyl)pentanoic acid is COc1ccccc1CCCCC(=O)O.
What is the InChIKey of 5-(2-methoxyphenyl)pentanoic acid?
The InChIKey is RWRMHXUTXNHHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-15-11-8-4-2-6-10(11)7-3-5-9-12(13)14/h2,4,6,8H,3,5,7,9H2,1H3,(H,13,14).
What are the key properties of 5-(2-methoxyphenyl)pentanoic acid?
5-(2-methoxyphenyl)pentanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)pentanoic acid is sourced from PubChem (CID 25050817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).