5-methyl-2-nonoxybenzoic acid

C17H26O3 — CID 63463067

IUPAC5-methyl-2-nonoxybenzoic acid
SMILESCCCCCCCCCOc1ccc(C)cc1C(=O)O
InChIInChI=1S/C17H26O3/c1-3-4-5-6-7-8-9-12-20-16-11-10-14(2)13-15(16)17(18)19/h10-11,13H,3-9,12H2,1-2H3,(H,18,19)
InChIKeyCCSJFBMCZJULOJ-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.82
Rot. Bonds10

About 5-methyl-2-nonoxybenzoic acid

5-methyl-2-nonoxybenzoic acid (PubChem CID 63463067) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 5-methyl-2-nonoxybenzoic acid.

Molecular Properties

Compound Name5-methyl-2-nonoxybenzoic acid
PubChem CID63463067
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name5-methyl-2-nonoxybenzoic acid
SMILESCCCCCCCCCOc1ccc(C)cc1C(=O)O
InChIInChI=1S/C17H26O3/c1-3-4-5-6-7-8-9-12-20-16-11-10-14(2)13-15(16)17(18)19/h10-11,13H,3-9,12H2,1-2H3,(H,18,19)
InChIKeyCCSJFBMCZJULOJ-UHFFFAOYSA-N
XLogP4.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.82
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

4,6-di(undecoxy)benzene-1,3-dicarboxylic acid
CID 101148089
2,5-didodecoxybenzoic acid
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5-fluoro-2-nonoxybenzoic acid
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2-hept-6-enoxy-5-methylbenzoic acid
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5-iodo-2-pentoxybenzoic acid
CID 82996012
2-(2-fluoroethoxy)-5-methylbenzoic acid
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5-methyl-2-(2-propoxyphenoxy)benzoic acid
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2,5-dipentoxyterephthalic acid;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-nonoxybenzoic acid?
The IUPAC name of 5-methyl-2-nonoxybenzoic acid (CID 63463067) is 5-methyl-2-nonoxybenzoic acid.
What is the SMILES notation for 5-methyl-2-nonoxybenzoic acid?
The canonical SMILES for 5-methyl-2-nonoxybenzoic acid is CCCCCCCCCOc1ccc(C)cc1C(=O)O.
What is the InChIKey of 5-methyl-2-nonoxybenzoic acid?
The InChIKey is CCSJFBMCZJULOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-3-4-5-6-7-8-9-12-20-16-11-10-14(2)13-15(16)17(18)19/h10-11,13H,3-9,12H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-2-nonoxybenzoic acid?
5-methyl-2-nonoxybenzoic acid has a molecular weight of 278.39 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-nonoxybenzoic acid is sourced from PubChem (CID 63463067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).