3-(3-ethylheptyl)-2-hydroxybenzoic acid

C16H24O3 — CID 70566395

IUPAC3-(3-ethylheptyl)-2-hydroxybenzoic acid
SMILESCCCCC(CC)CCc1cccc(C(=O)O)c1O
InChIInChI=1S/C16H24O3/c1-3-5-7-12(4-2)10-11-13-8-6-9-14(15(13)17)16(18)19/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3,(H,18,19)
InChIKeyMOABJAXSAHOGSR-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.24
Rot. Bonds8

About 3-(3-ethylheptyl)-2-hydroxybenzoic acid

3-(3-ethylheptyl)-2-hydroxybenzoic acid (PubChem CID 70566395) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(3-ethylheptyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(3-ethylheptyl)-2-hydroxybenzoic acid
PubChem CID70566395
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name3-(3-ethylheptyl)-2-hydroxybenzoic acid
SMILESCCCCC(CC)CCc1cccc(C(=O)O)c1O
InChIInChI=1S/C16H24O3/c1-3-5-7-12(4-2)10-11-13-8-6-9-14(15(13)17)16(18)19/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3,(H,18,19)
InChIKeyMOABJAXSAHOGSR-UHFFFAOYSA-N
XLogP4.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-2-hydroxybenzoic acid
CID 18681512
3-heptyl-2-hydroxybenzoic acid
CID 67845198
3-(6-ethyloctyl)phthalic acid
CID 175548191
calcium;2-hydroxy-3-nonylbenzoic acid;3-nonyl-2-oxidobenzoate
CID 101311166
1-N',8-N'-bis(3-butyl-2-hydroxybenzoyl)-2,7-diethyloctanedihydrazide
CID 101306098
2-ethylhexyl 2,3-dihydroxybenzoate
CID 175413950
2-[3-[4-(diethylamino)hexyl]-2-hydroxybenzoyl]benzoic acid
CID 151961564
heptan-3-ol;2-hydroxybenzoic acid
CID 158076933
3-butyl-2-hydroxy-N,N-dimethylbenzamide
CID 22930623
2-butyl-1-N',5-N'-bis(3-butyl-2-hydroxybenzoyl)-4-propylpentanedihydrazide
CID 101306110
2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid
CID 63614926
(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
CID 91614049

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylheptyl)-2-hydroxybenzoic acid?
The IUPAC name of 3-(3-ethylheptyl)-2-hydroxybenzoic acid (CID 70566395) is 3-(3-ethylheptyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 3-(3-ethylheptyl)-2-hydroxybenzoic acid?
The canonical SMILES for 3-(3-ethylheptyl)-2-hydroxybenzoic acid is CCCCC(CC)CCc1cccc(C(=O)O)c1O.
What is the InChIKey of 3-(3-ethylheptyl)-2-hydroxybenzoic acid?
The InChIKey is MOABJAXSAHOGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-5-7-12(4-2)10-11-13-8-6-9-14(15(13)17)16(18)19/h6,8-9,12,17H,3-5,7,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-ethylheptyl)-2-hydroxybenzoic acid?
3-(3-ethylheptyl)-2-hydroxybenzoic acid has a molecular weight of 264.37 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylheptyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 70566395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).