3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid

C17H18O6 — CID 70424443

IUPAC3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid
SMILESCCc1cc(C(=O)O)ccc1O.Cc1cc(C(=O)O)ccc1O
InChIInChI=1S/C9H10O3.C8H8O3/c1-2-6-5-7(9(11)12)3-4-8(6)10;1-5-4-6(8(10)11)2-3-7(5)9/h3-5,10H,2H2,1H3,(H,11,12);2-4,9H,1H3,(H,10,11)
InChIKeyMMTHQGUSTBFHCN-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.05
Rot. Bonds3

About 3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid

3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid (PubChem CID 70424443) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid
PubChem CID70424443
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid
SMILESCCc1cc(C(=O)O)ccc1O.Cc1cc(C(=O)O)ccc1O
InChIInChI=1S/C9H10O3.C8H8O3/c1-2-6-5-7(9(11)12)3-4-8(6)10;1-5-4-6(8(10)11)2-3-7(5)9/h3-5,10H,2H2,1H3,(H,11,12);2-4,9H,1H3,(H,10,11)
InChIKeyMMTHQGUSTBFHCN-UHFFFAOYSA-N
XLogP3.05
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 160831829
ethane;4-ethyl-3-methylbenzoic acid
CID 144686494
4-(4-hydroxy-3-methylphenyl)benzoic acid
CID 15389812
4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid
CID 174573834
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655
4-chloro-3-ethylbenzoic acid
CID 21412279
3-dec-2-enyl-4-hydroxybenzoic acid
CID 158619955
3-[[2-[(5-carboxy-2-hydroxyphenyl)methylamino]ethylamino]methyl]-4-hydroxybenzoic acid
CID 102164830
4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol
CID 163811607
methyl 4-hydroxy-3-methylbenzoate;propane
CID 145380615
4-hydroxy-3-prop-2-enylbenzoic acid;zinc
CID 67875987
N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide
CID 103956619

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid?
The IUPAC name of 3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid (CID 70424443) is 3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for 3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid?
The canonical SMILES for 3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid is CCc1cc(C(=O)O)ccc1O.Cc1cc(C(=O)O)ccc1O.
What is the InChIKey of 3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid?
The InChIKey is MMTHQGUSTBFHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C8H8O3/c1-2-6-5-7(9(11)12)3-4-8(6)10;1-5-4-6(8(10)11)2-3-7(5)9/h3-5,10H,2H2,1H3,(H,11,12);2-4,9H,1H3,(H,10,11).
What are the key properties of 3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid?
3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid has a molecular weight of 318.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid is sourced from PubChem (CID 70424443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).