Methyl 5-(benzyloxy)-2-hydroxybenzoate

HCID 13026913CAS 61227-22-3
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cc(OCc2ccccc2)ccc1O
InChIKey
STKBIDZTDFSKEP-UHFFFAOYSA-N
Molecular formula
C15H14O4
Average molar mass
258.27 g/mol
Monoisotopic mass
258.08920893

Names & identifiers

Preferred name
Methyl 5-(benzyloxy)-2-hydroxybenzoate
IUPAC
methyl 2-hydroxy-5-phenylmethoxybenzoate
English name
Methyl 2-hydroxy-5-(phenylMethoxy)benzoate
Molecular formula
C15H14O4
Molecular weight
258.27

Names & synonyms

Methyl 5-(benzyloxy)-2-hydroxybenzoate61227-22-3DTXSID30515591RefChem:355931DTXCID90466398methyl 2-hydroxy-5-phenylmethoxybenzoatemethyl 5-benzyloxy-2-hydroxybenzoateMethyl5-(benzyloxy)-2-hydroxybenzoatemethyl 5-benzyloxysalicylateSCHEMBL710202SCHEMBL29717105STKBIDZTDFSKEP-UHFFFAOYSA-N
Show more names
JR-13550, Methyl 5-(benzyloxy)-2-hydroxybenzoate, 95%Benzoic acid, 2-hydroxy-5-(phenylmethoxy)-, methyl ester
MFCD20441274methyl 5-benzyloxy-2-hydroxy-benzoateDB-130173Methyl 2-hydroxy-5-(phenylMethoxy)benzoateCS-0361881F972165-Benzyloxy-2-hydroxy benzoic acid methyl esterA1-11636

Database identifiers

CAS
61227-22-3
PubChem CID
13026913
DTXSID
DTXSID30515591

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
19

Physicochemical properties

Boiling point
397.8 · 397.8±27.0 °C(Predicted)
Density
1.227 · 1.227±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
10.11 · 10.11±0.20(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers5 total

上海睿升化工科技有限公司+86-021-50935922
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

16 records
New reaction record

Linked notes

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