3-heptyl-2-hydroxybenzoic acid

C14H20O3 — CID 67845198

IUPAC3-heptyl-2-hydroxybenzoic acid
SMILESCCCCCCCc1cccc(C(=O)O)c1O
InChIInChI=1S/C14H20O3/c1-2-3-4-5-6-8-11-9-7-10-12(13(11)15)14(16)17/h7,9-10,15H,2-6,8H2,1H3,(H,16,17)
InChIKeyYWHVOBYBKRBDPR-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.60
Rot. Bonds7

About 3-heptyl-2-hydroxybenzoic acid

3-heptyl-2-hydroxybenzoic acid (PubChem CID 67845198) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-heptyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-heptyl-2-hydroxybenzoic acid
PubChem CID67845198
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-heptyl-2-hydroxybenzoic acid
SMILESCCCCCCCc1cccc(C(=O)O)c1O
InChIInChI=1S/C14H20O3/c1-2-3-4-5-6-8-11-9-7-10-12(13(11)15)14(16)17/h7,9-10,15H,2-6,8H2,1H3,(H,16,17)
InChIKeyYWHVOBYBKRBDPR-UHFFFAOYSA-N
XLogP3.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butyl-2-hydroxybenzoic acid
CID 18681512
calcium;2-hydroxy-3-nonylbenzoic acid;3-nonyl-2-oxidobenzoate
CID 101311166
4-dodecyl-2,3-dihydroxybenzoic acid
CID 21475788
(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
CID 91614049
3-tetradecylphthalic acid
CID 22912670
3-dodecylphthalic acid
CID 19855185
2-amino-3-decylbenzoic acid
CID 118902812
CID 159889030
CID 159889030
azane;2-octylbenzoic acid
CID 70171834
magnesium;2-hexylbenzoic acid;hydride
CID 173426888
acetic acid;3-pentadecylbenzene-1,2-diol
CID 67779350
calcium 2-carboxy-6-hexadecylphenolate
CID 54724017

Frequently Asked Questions

What is the IUPAC name of 3-heptyl-2-hydroxybenzoic acid?
The IUPAC name of 3-heptyl-2-hydroxybenzoic acid (CID 67845198) is 3-heptyl-2-hydroxybenzoic acid.
What is the SMILES notation for 3-heptyl-2-hydroxybenzoic acid?
The canonical SMILES for 3-heptyl-2-hydroxybenzoic acid is CCCCCCCc1cccc(C(=O)O)c1O.
What is the InChIKey of 3-heptyl-2-hydroxybenzoic acid?
The InChIKey is YWHVOBYBKRBDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-3-4-5-6-8-11-9-7-10-12(13(11)15)14(16)17/h7,9-10,15H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 3-heptyl-2-hydroxybenzoic acid?
3-heptyl-2-hydroxybenzoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-2-hydroxybenzoic acid is sourced from PubChem (CID 67845198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).