2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid

C17H18O6 — CID 70039080

IUPAC2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid
SMILESCCc1cc(O)ccc1C(=O)O.Cc1cc(O)ccc1C(=O)O
InChIInChI=1S/C9H10O3.C8H8O3/c1-2-6-5-7(10)3-4-8(6)9(11)12;1-5-4-6(9)2-3-7(5)8(10)11/h3-5,10H,2H2,1H3,(H,11,12);2-4,9H,1H3,(H,10,11)
InChIKeyNFCYDTOMPMTDQM-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.05
Rot. Bonds3

About 2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid

2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid (PubChem CID 70039080) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid.

Molecular Properties

Compound Name2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid
PubChem CID70039080
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid
SMILESCCc1cc(O)ccc1C(=O)O.Cc1cc(O)ccc1C(=O)O
InChIInChI=1S/C9H10O3.C8H8O3/c1-2-6-5-7(10)3-4-8(6)9(11)12;1-5-4-6(9)2-3-7(5)8(10)11/h3-5,10H,2H2,1H3,(H,11,12);2-4,9H,1H3,(H,10,11)
InChIKeyNFCYDTOMPMTDQM-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

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CID 70586681
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
sodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid
CID 173200114
4-hydroxy-2-(3-methyl-2-oxobutyl)benzoic acid
CID 148723621
2-ethyl-4-methylbenzoic acid
CID 19886963
4-hydroxy-2-pentylbenzoic acid
CID 23618603
4-hydroxy-2-octadecylbenzoic acid
CID 23112599
4-hydroxy-2-pentadecylbenzoic acid
CID 69021357
2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid
CID 70479873
2,3-bis(4-hydroxy-2-methylphenyl)terephthalic acid
CID 67898898
4-hydroxy-2-methylbenzoic acid;octadecan-1-ol;propane-1,2,3-triol
CID 174455621
2-ethyl-4-fluorobenzoic acid
CID 22101376

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid?
The IUPAC name of 2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid (CID 70039080) is 2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid.
What is the SMILES notation for 2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid?
The canonical SMILES for 2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid is CCc1cc(O)ccc1C(=O)O.Cc1cc(O)ccc1C(=O)O.
What is the InChIKey of 2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid?
The InChIKey is NFCYDTOMPMTDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C8H8O3/c1-2-6-5-7(10)3-4-8(6)9(11)12;1-5-4-6(9)2-3-7(5)8(10)11/h3-5,10H,2H2,1H3,(H,11,12);2-4,9H,1H3,(H,10,11).
What are the key properties of 2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid?
2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-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 2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid is sourced from PubChem (CID 70039080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).