2-dodecyl-6-hydroxybenzoic acid

C19H30O3 — CID 10244659

IUPAC2-dodecyl-6-hydroxybenzoic acid
SMILESCCCCCCCCCCCCc1cccc(O)c1C(=O)O
InChIInChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)
InChIKeyCEUCMBLQZFAWPS-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.55
Rot. Bonds12

About 2-dodecyl-6-hydroxybenzoic acid

2-dodecyl-6-hydroxybenzoic acid (PubChem CID 10244659) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-dodecyl-6-hydroxybenzoic acid.

Molecular Properties

Compound Name2-dodecyl-6-hydroxybenzoic acid
PubChem CID10244659
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name2-dodecyl-6-hydroxybenzoic acid
SMILESCCCCCCCCCCCCc1cccc(O)c1C(=O)O
InChIInChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)
InChIKeyCEUCMBLQZFAWPS-UHFFFAOYSA-N
XLogP5.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.55
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

2-hydroxy-6-octylbenzoic acid
CID 14298684
2-hydroxy-6-(12-oxoheptadecyl)benzoic acid
CID 146683504
2-hydroxy-6-tridec-8-enylbenzoic acid
CID 73188302
3-dodecylphthalic acid
CID 19855185
3-tetradecylphthalic acid
CID 22912670
2-hydroxy-6-(15-hydroxypentadecyl)benzoic acid
CID 177472743
2-hydroxy-6-(5-hydroxypentyl)benzoic acid
CID 127037290
acetic acid;3-pentadecylbenzene-1,2-diol
CID 67779350
sodium 2-carboxy-3-tetradecylphenolate
CID 101311322
2-decyl-6-methoxybenzoic acid
CID 20757679
2-carbamoyl-6-octadecylbenzoic acid
CID 69046892
carbonic acid;bis(2-nonylphenol)
CID 69221300

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-6-hydroxybenzoic acid?
The IUPAC name of 2-dodecyl-6-hydroxybenzoic acid (CID 10244659) is 2-dodecyl-6-hydroxybenzoic acid.
What is the SMILES notation for 2-dodecyl-6-hydroxybenzoic acid?
The canonical SMILES for 2-dodecyl-6-hydroxybenzoic acid is CCCCCCCCCCCCc1cccc(O)c1C(=O)O.
What is the InChIKey of 2-dodecyl-6-hydroxybenzoic acid?
The InChIKey is CEUCMBLQZFAWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22).
What are the key properties of 2-dodecyl-6-hydroxybenzoic acid?
2-dodecyl-6-hydroxybenzoic acid has a molecular weight of 306.45 g/mol, XLogP of 5.55, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-6-hydroxybenzoic acid is sourced from PubChem (CID 10244659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).