phenyl 3-hydroxy-2-methoxybenzoate

C14H12O4 — CID 69024035

IUPACphenyl 3-hydroxy-2-methoxybenzoate
SMILESCOc1c(O)cccc1C(=O)Oc1ccccc1
InChIInChI=1S/C14H12O4/c1-17-13-11(8-5-9-12(13)15)14(16)18-10-6-3-2-4-7-10/h2-9,15H,1H3
InChIKeyQUHPMBJKAYKPAV-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.62
Rot. Bonds3

About phenyl 3-hydroxy-2-methoxybenzoate

phenyl 3-hydroxy-2-methoxybenzoate (PubChem CID 69024035) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is phenyl 3-hydroxy-2-methoxybenzoate.

Molecular Properties

Compound Namephenyl 3-hydroxy-2-methoxybenzoate
PubChem CID69024035
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Namephenyl 3-hydroxy-2-methoxybenzoate
SMILESCOc1c(O)cccc1C(=O)Oc1ccccc1
InChIInChI=1S/C14H12O4/c1-17-13-11(8-5-9-12(13)15)14(16)18-10-6-3-2-4-7-10/h2-9,15H,1H3
InChIKeyQUHPMBJKAYKPAV-UHFFFAOYSA-N
XLogP2.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 5-hydroxynaphthalene-1-carboxylate
CID 19766520
phenyl 3-hydroxy-2-propan-2-ylbenzoate
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formaldehyde;phenyl 2-hydroxybenzoate
CID 70193884
bis(4-chlorophenyl) 2-methoxybenzene-1,3-dicarboxylate
CID 141451535
2-phenoxy-3-phenoxycarbonylbenzoic acid
CID 141175877
phenyl 8-hydroxynaphthalene-1-carboxylate
CID 67908081
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
diphenyl benzene-1,2-dicarboxylate;phenol
CID 174922398
benzene-1,3-diol;diphenyl benzene-1,2-dicarboxylate
CID 174808310
phenyl 2-acetylbenzoate
CID 102060857
diphenyl benzene-1,2-dicarboxylate;trihydroxy(methyl)phosphanium
CID 158752634
methyl 2-benzoyloxy-3-hydroxybenzoate
CID 68781973

Frequently Asked Questions

What is the IUPAC name of phenyl 3-hydroxy-2-methoxybenzoate?
The IUPAC name of phenyl 3-hydroxy-2-methoxybenzoate (CID 69024035) is phenyl 3-hydroxy-2-methoxybenzoate.
What is the SMILES notation for phenyl 3-hydroxy-2-methoxybenzoate?
The canonical SMILES for phenyl 3-hydroxy-2-methoxybenzoate is COc1c(O)cccc1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 3-hydroxy-2-methoxybenzoate?
The InChIKey is QUHPMBJKAYKPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-17-13-11(8-5-9-12(13)15)14(16)18-10-6-3-2-4-7-10/h2-9,15H,1H3.
What are the key properties of phenyl 3-hydroxy-2-methoxybenzoate?
phenyl 3-hydroxy-2-methoxybenzoate has a molecular weight of 244.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-hydroxy-2-methoxybenzoate is sourced from PubChem (CID 69024035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).