4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid

C18H20O6 — CID 70586681

IUPAC4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
SMILESCCCc1cc(O)ccc1C(=O)O.Cc1cc(O)ccc1C(=O)O
InChIInChI=1S/C10H12O3.C8H8O3/c1-2-3-7-6-8(11)4-5-9(7)10(12)13;1-5-4-6(9)2-3-7(5)8(10)11/h4-6,11H,2-3H2,1H3,(H,12,13);2-4,9H,1H3,(H,10,11)
InChIKeyWAUDWRBJKDJXEN-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.44
Rot. Bonds4

About 4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid

4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid (PubChem CID 70586681) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid.

Molecular Properties

Compound Name4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
PubChem CID70586681
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
SMILESCCCc1cc(O)ccc1C(=O)O.Cc1cc(O)ccc1C(=O)O
InChIInChI=1S/C10H12O3.C8H8O3/c1-2-3-7-6-8(11)4-5-9(7)10(12)13;1-5-4-6(9)2-3-7(5)8(10)11/h4-6,11H,2-3H2,1H3,(H,12,13);2-4,9H,1H3,(H,10,11)
InChIKeyWAUDWRBJKDJXEN-UHFFFAOYSA-N
XLogP3.44
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid
CID 70039080
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
4-hydroxy-2-pentylbenzoic acid
CID 23618603
hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid
CID 173480280
4-hydroxy-2-pentadecylbenzoic acid
CID 69021357
4-hydroxy-2-octadecylbenzoic acid
CID 23112599
5-hydroxy-2-propylbenzoic acid
CID 23105136
2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid
CID 70479873
ethyl 4-hydroxy-2-propylbenzoate
CID 66937592
sodium;4-hydroxy-2-propylbenzoate;trihydrate
CID 67564094
4-hydroxy-2-(3-methyl-2-oxobutyl)benzoic acid
CID 148723621
phenyl 4-hydroxy-2-propylbenzoate
CID 70366089

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid?
The IUPAC name of 4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid (CID 70586681) is 4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid.
What is the SMILES notation for 4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid?
The canonical SMILES for 4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid is CCCc1cc(O)ccc1C(=O)O.Cc1cc(O)ccc1C(=O)O.
What is the InChIKey of 4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid?
The InChIKey is WAUDWRBJKDJXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.C8H8O3/c1-2-3-7-6-8(11)4-5-9(7)10(12)13;1-5-4-6(9)2-3-7(5)8(10)11/h4-6,11H,2-3H2,1H3,(H,12,13);2-4,9H,1H3,(H,10,11).
What are the key properties of 4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid?
4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid has a molecular weight of 332.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid is sourced from PubChem (CID 70586681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).