ethane;2-hydroxy-4-methylbenzoic acid

C12H20O3 — CID 145280120

IUPACethane;2-hydroxy-4-methylbenzoic acid
SMILESCC.CC.Cc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C8H8O3.2C2H6/c1-5-2-3-6(8(10)11)7(9)4-5;2*1-2/h2-4,9H,1H3,(H,10,11);2*1-2H3
InChIKeyOGECVJNQIMQBGW-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.45
Rot. Bonds1

About ethane;2-hydroxy-4-methylbenzoic acid

ethane;2-hydroxy-4-methylbenzoic acid (PubChem CID 145280120) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethane;2-hydroxy-4-methylbenzoic acid.

Molecular Properties

Compound Nameethane;2-hydroxy-4-methylbenzoic acid
PubChem CID145280120
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethane;2-hydroxy-4-methylbenzoic acid
SMILESCC.CC.Cc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C8H8O3.2C2H6/c1-5-2-3-6(8(10)11)7(9)4-5;2*1-2/h2-4,9H,1H3,(H,10,11);2*1-2H3
InChIKeyOGECVJNQIMQBGW-UHFFFAOYSA-N
XLogP3.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
2-bromo-4-methylbenzoic acid;ethane
CID 143170535
2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
CID 68538226
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
3-(2-hydroxy-4-methylphenyl)but-2-enoic acid
CID 130606734
2,4-dihydroxybenzoic acid
CID 1491
6-methylnaphthalene-1,4-dicarboxylic acid
CID 23139708
2-carboxy-5-methylphenolate
CID 54675829
ethane;3-hydroxy-2,5-dimethylbenzoic acid
CID 142823767
2-iodo-4-methylbenzoic acid
CID 4285392
12-bromo-1-(2-hydroxy-4-methylphenyl)dodecan-1-one
CID 11696351
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-4-methylbenzoic acid?
The IUPAC name of ethane;2-hydroxy-4-methylbenzoic acid (CID 145280120) is ethane;2-hydroxy-4-methylbenzoic acid.
What is the SMILES notation for ethane;2-hydroxy-4-methylbenzoic acid?
The canonical SMILES for ethane;2-hydroxy-4-methylbenzoic acid is CC.CC.Cc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of ethane;2-hydroxy-4-methylbenzoic acid?
The InChIKey is OGECVJNQIMQBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.2C2H6/c1-5-2-3-6(8(10)11)7(9)4-5;2*1-2/h2-4,9H,1H3,(H,10,11);2*1-2H3.
What are the key properties of ethane;2-hydroxy-4-methylbenzoic acid?
ethane;2-hydroxy-4-methylbenzoic acid has a molecular weight of 212.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-4-methylbenzoic acid is sourced from PubChem (CID 145280120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).