2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid

C16H16O5 — CID 70267324

IUPAC2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid
SMILESCc1cc(OC(C)Oc2ccccc2)cc(O)c1C(=O)O
InChIInChI=1S/C16H16O5/c1-10-8-13(9-14(17)15(10)16(18)19)21-11(2)20-12-6-4-3-5-7-12/h3-9,11,17H,1-2H3,(H,18,19)
InChIKeyIBANRKIAMZKRNM-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.20
Rot. Bonds5

About 2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid

2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid (PubChem CID 70267324) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid
PubChem CID70267324
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid
SMILESCc1cc(OC(C)Oc2ccccc2)cc(O)c1C(=O)O
InChIInChI=1S/C16H16O5/c1-10-8-13(9-14(17)15(10)16(18)19)21-11(2)20-12-6-4-3-5-7-12/h3-9,11,17H,1-2H3,(H,18,19)
InChIKeyIBANRKIAMZKRNM-UHFFFAOYSA-N
XLogP3.20
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-4-(difluoromethoxy)-6-methylbenzoic acid
CID 171023844
2-chloro-6-methyl-4-propan-2-yloxybenzoic acid
CID 140590140
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390
1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
CID 131525559
1-phenoxyethoxycarbonyloxy 1-phenoxyethyl carbonate
CID 88732415
1-phenoxyethanol
CID 66611531
1-methoxyethoxybenzene
CID 18188895
1-(1-phenoxyethylperoxy)ethoxybenzene
CID 175523991
phenyl 4-bromo-2-hydroxy-6-methylbenzoate
CID 58493250
ethyl 1-phenoxyethyl carbonate
CID 173360681
ethane;1-ethoxyethoxybenzene;phenol;propane
CID 162122955
2,4-dihydroxy-6-methyl-3-(2-phenoxyethyl)benzoic acid
CID 88658173

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid?
The IUPAC name of 2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid (CID 70267324) is 2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid.
What is the SMILES notation for 2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid?
The canonical SMILES for 2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid is Cc1cc(OC(C)Oc2ccccc2)cc(O)c1C(=O)O.
What is the InChIKey of 2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid?
The InChIKey is IBANRKIAMZKRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-10-8-13(9-14(17)15(10)16(18)19)21-11(2)20-12-6-4-3-5-7-12/h3-9,11,17H,1-2H3,(H,18,19).
What are the key properties of 2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid?
2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid has a molecular weight of 288.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methyl-4-(1-phenoxyethoxy)benzoic acid is sourced from PubChem (CID 70267324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).