3-(cyclooctylmethoxy)benzoic acid

C16H22O3 — CID 58347494

IUPAC3-(cyclooctylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCC2CCCCCCC2)c1
InChIInChI=1S/C16H22O3/c17-16(18)14-9-6-10-15(11-14)19-12-13-7-4-2-1-3-5-8-13/h6,9-11,13H,1-5,7-8,12H2,(H,17,18)
InChIKeyLEHSHSGFYXDNSO-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.12
Rot. Bonds4

About 3-(cyclooctylmethoxy)benzoic acid

3-(cyclooctylmethoxy)benzoic acid (PubChem CID 58347494) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(cyclooctylmethoxy)benzoic acid.

Molecular Properties

Compound Name3-(cyclooctylmethoxy)benzoic acid
PubChem CID58347494
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-(cyclooctylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(OCC2CCCCCCC2)c1
InChIInChI=1S/C16H22O3/c17-16(18)14-9-6-10-15(11-14)19-12-13-7-4-2-1-3-5-8-13/h6,9-11,13H,1-5,7-8,12H2,(H,17,18)
InChIKeyLEHSHSGFYXDNSO-UHFFFAOYSA-N
XLogP4.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutane;3-(cyclohexylmethoxy)benzoic acid;bis(4-cyclopentyloxybenzoic acid)
CID 174840295
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
4-[3-(cyclohexylmethoxy)phenyl]-2,4-dioxobutanoic acid
CID 510663
3-[2-(cyclopropylmethoxy)ethoxy]benzoic acid
CID 43532308
3-[3-(cyclopropylmethoxy)propoxy]benzoic acid
CID 55180706
1-[3-(cyclohexylmethoxy)phenyl]hexane-1,5-dione
CID 158607530
cyclohexylmethoxybenzene
CID 14399287
1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene
CID 69097333
3-(2-cyclohexylsulfanylethoxy)benzoic acid
CID 60874387
3-[2-[cyclohexyl(methyl)amino]ethoxy]benzoic acid
CID 22680674
3-(3-cyclohexylsulfanylpropoxy)benzoic acid
CID 63529816
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896207

Frequently Asked Questions

What is the IUPAC name of 3-(cyclooctylmethoxy)benzoic acid?
The IUPAC name of 3-(cyclooctylmethoxy)benzoic acid (CID 58347494) is 3-(cyclooctylmethoxy)benzoic acid.
What is the SMILES notation for 3-(cyclooctylmethoxy)benzoic acid?
The canonical SMILES for 3-(cyclooctylmethoxy)benzoic acid is O=C(O)c1cccc(OCC2CCCCCCC2)c1.
What is the InChIKey of 3-(cyclooctylmethoxy)benzoic acid?
The InChIKey is LEHSHSGFYXDNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c17-16(18)14-9-6-10-15(11-14)19-12-13-7-4-2-1-3-5-8-13/h6,9-11,13H,1-5,7-8,12H2,(H,17,18).
What are the key properties of 3-(cyclooctylmethoxy)benzoic acid?
3-(cyclooctylmethoxy)benzoic acid has a molecular weight of 262.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclooctylmethoxy)benzoic acid is sourced from PubChem (CID 58347494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).