2-(8-methylnonoxy)benzoic acid

C17H26O3 — CID 22075682

IUPAC2-(8-methylnonoxy)benzoic acid
SMILESCC(C)CCCCCCCOc1ccccc1C(=O)O
InChIInChI=1S/C17H26O3/c1-14(2)10-6-4-3-5-9-13-20-16-12-8-7-11-15(16)17(18)19/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,18,19)
InChIKeyDCGQISQGBXYAPP-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.76
Rot. Bonds10

About 2-(8-methylnonoxy)benzoic acid

2-(8-methylnonoxy)benzoic acid (PubChem CID 22075682) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-(8-methylnonoxy)benzoic acid.

Molecular Properties

Compound Name2-(8-methylnonoxy)benzoic acid
PubChem CID22075682
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-(8-methylnonoxy)benzoic acid
SMILESCC(C)CCCCCCCOc1ccccc1C(=O)O
InChIInChI=1S/C17H26O3/c1-14(2)10-6-4-3-5-9-13-20-16-12-8-7-11-15(16)17(18)19/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,18,19)
InChIKeyDCGQISQGBXYAPP-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
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

2-(18-methylnonadecoxy)benzoic acid
CID 172718399
propan-2-yl 2-(16-methylheptadecoxy)benzoate
CID 139715395
2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 43532277
2-nonoxybenzoic acid;zinc
CID 70396181
2-dodecoxybenzoic acid;nickel
CID 87443191
1-[2-(4-methylpentoxy)phenyl]ethanone
CID 29003187
2-(16-hydroxyhexadecoxy)benzoic acid
CID 139706131
2-(16-chlorohexadecoxy)benzoic acid
CID 56630672
2-[(4S)-4-methylhexoxy]benzoic acid
CID 67783867
calcium;2-hexadecoxybenzoic acid;hydride
CID 173426862
2-pentoxybenzoic acid;hydrochloride
CID 70416265
2-(3-hydroxyhexadecoxy)benzoic acid
CID 139706137

Frequently Asked Questions

What is the IUPAC name of 2-(8-methylnonoxy)benzoic acid?
The IUPAC name of 2-(8-methylnonoxy)benzoic acid (CID 22075682) is 2-(8-methylnonoxy)benzoic acid.
What is the SMILES notation for 2-(8-methylnonoxy)benzoic acid?
The canonical SMILES for 2-(8-methylnonoxy)benzoic acid is CC(C)CCCCCCCOc1ccccc1C(=O)O.
What is the InChIKey of 2-(8-methylnonoxy)benzoic acid?
The InChIKey is DCGQISQGBXYAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-14(2)10-6-4-3-5-9-13-20-16-12-8-7-11-15(16)17(18)19/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,18,19).
What are the key properties of 2-(8-methylnonoxy)benzoic acid?
2-(8-methylnonoxy)benzoic acid has a molecular weight of 278.39 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylnonoxy)benzoic acid is sourced from PubChem (CID 22075682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).