2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid

C16H16O6 — CID 67904664

IUPAC2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1O.O=C(O)c1ccccc1O
InChIInChI=1S/C9H10O3.C7H6O3/c1-5-3-7(9(11)12)4-6(2)8(5)10;8-6-4-2-1-3-5(6)7(9)10/h3-4,10H,1-2H3,(H,11,12);1-4,8H,(H,9,10)
InChIKeyTYSPDPMSJHUKLF-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.80
Rot. Bonds2

About 2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid

2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid (PubChem CID 67904664) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid
PubChem CID67904664
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1O.O=C(O)c1ccccc1O
InChIInChI=1S/C9H10O3.C7H6O3/c1-5-3-7(9(11)12)4-6(2)8(5)10;8-6-4-2-1-3-5(6)7(9)10/h3-4,10H,1-2H3,(H,11,12);1-4,8H,(H,9,10)
InChIKeyTYSPDPMSJHUKLF-UHFFFAOYSA-N
XLogP2.80
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
sodium;2-hydroxybenzoic acid;acetate
CID 174935764
sodium;hydrogen carbonate;2-hydroxybenzoic acid
CID 70482826
N,N-dimethylmethanamine;2-hydroxybenzoic acid
CID 173188925
strontium;hydride;2-hydroxybenzoic acid
CID 172999910

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid?
The IUPAC name of 2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid (CID 67904664) is 2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid.
What is the SMILES notation for 2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid?
The canonical SMILES for 2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid is Cc1cc(C(=O)O)cc(C)c1O.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid?
The InChIKey is TYSPDPMSJHUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C7H6O3/c1-5-3-7(9(11)12)4-6(2)8(5)10;8-6-4-2-1-3-5(6)7(9)10/h3-4,10H,1-2H3,(H,11,12);1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid?
2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid has a molecular weight of 304.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid is sourced from PubChem (CID 67904664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).