7-(2-methoxyphenyl)heptanoic acid

C14H20O3 — CID 59451681

IUPAC7-(2-methoxyphenyl)heptanoic acid
SMILESCOc1ccccc1CCCCCCC(=O)O
InChIInChI=1S/C14H20O3/c1-17-13-10-7-6-9-12(13)8-4-2-3-5-11-14(15)16/h6-7,9-10H,2-5,8,11H2,1H3,(H,15,16)
InChIKeyJPUWBGZATHHUFT-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.27
Rot. Bonds8

About 7-(2-methoxyphenyl)heptanoic acid

7-(2-methoxyphenyl)heptanoic acid (PubChem CID 59451681) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)heptanoic acid.

Molecular Properties

Compound Name7-(2-methoxyphenyl)heptanoic acid
PubChem CID59451681
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name7-(2-methoxyphenyl)heptanoic acid
SMILESCOc1ccccc1CCCCCCC(=O)O
InChIInChI=1S/C14H20O3/c1-17-13-10-7-6-9-12(13)8-4-2-3-5-11-14(15)16/h6-7,9-10H,2-5,8,11H2,1H3,(H,15,16)
InChIKeyJPUWBGZATHHUFT-UHFFFAOYSA-N
XLogP3.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.27
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

5-(2-methoxyphenyl)pentanoic acid
CID 25050817
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
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
4-(2,3-dimethoxyphenyl)butanoic acid;hydrochloride
CID 139764480
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
1-methoxy-2-tetradecylbenzene
CID 69169530
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
6-(2,5-dihydroxy-4-methoxyphenyl)hexanoic acid
CID 22910786

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)heptanoic acid?
The IUPAC name of 7-(2-methoxyphenyl)heptanoic acid (CID 59451681) is 7-(2-methoxyphenyl)heptanoic acid.
What is the SMILES notation for 7-(2-methoxyphenyl)heptanoic acid?
The canonical SMILES for 7-(2-methoxyphenyl)heptanoic acid is COc1ccccc1CCCCCCC(=O)O.
What is the InChIKey of 7-(2-methoxyphenyl)heptanoic acid?
The InChIKey is JPUWBGZATHHUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-17-13-10-7-6-9-12(13)8-4-2-3-5-11-14(15)16/h6-7,9-10H,2-5,8,11H2,1H3,(H,15,16).
What are the key properties of 7-(2-methoxyphenyl)heptanoic acid?
7-(2-methoxyphenyl)heptanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)heptanoic acid is sourced from PubChem (CID 59451681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).