benzyl 2-hydroxy-3-methoxybenzoate

C15H14O4 — CID 18075523

IUPACbenzyl 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2ccccc2)c1O
InChIInChI=1S/C15H14O4/c1-18-13-9-5-8-12(14(13)16)15(17)19-10-11-6-3-2-4-7-11/h2-9,16H,10H2,1H3
InChIKeyDUSVPISSQIITNL-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.76
Rot. Bonds4

About benzyl 2-hydroxy-3-methoxybenzoate

benzyl 2-hydroxy-3-methoxybenzoate (PubChem CID 18075523) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is benzyl 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Namebenzyl 2-hydroxy-3-methoxybenzoate
PubChem CID18075523
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Namebenzyl 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2ccccc2)c1O
InChIInChI=1S/C15H14O4/c1-18-13-9-5-8-12(14(13)16)15(17)19-10-11-6-3-2-4-7-11/h2-9,16H,10H2,1H3
InChIKeyDUSVPISSQIITNL-UHFFFAOYSA-N
XLogP2.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylphenyl)methyl 2-methoxybenzoate
CID 18290046
[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075571
(6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate
CID 31916473
methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate
CID 169094954
prop-2-enyl 2-hydroxy-3-methoxybenzoate
CID 142667265
1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 12503889
[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075718
benzyl 3-amino-2-methoxybenzoate;hydrochloride
CID 67245943
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 18075732
benzyl 2-methoxy-6-(trifluoromethylsulfonyloxy)benzoate
CID 22626111
(5-hydroxy-4-oxopyran-2-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 135364328
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298

Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxy-3-methoxybenzoate?
The IUPAC name of benzyl 2-hydroxy-3-methoxybenzoate (CID 18075523) is benzyl 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for benzyl 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for benzyl 2-hydroxy-3-methoxybenzoate is COc1cccc(C(=O)OCc2ccccc2)c1O.
What is the InChIKey of benzyl 2-hydroxy-3-methoxybenzoate?
The InChIKey is DUSVPISSQIITNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-13-9-5-8-12(14(13)16)15(17)19-10-11-6-3-2-4-7-11/h2-9,16H,10H2,1H3.
What are the key properties of benzyl 2-hydroxy-3-methoxybenzoate?
benzyl 2-hydroxy-3-methoxybenzoate has a molecular weight of 258.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 18075523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).