[2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate

C24H22O8 — CID 67003208

IUPAC[2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate
SMILESCOc1cc(C(=O)OCc2ccccc2OC(=O)c2ccc(O)c(OC)c2C)ccc1O
InChIInChI=1S/C24H22O8/c1-14-17(9-11-19(26)22(14)30-3)24(28)32-20-7-5-4-6-16(20)13-31-23(27)15-8-10-18(25)21(12-15)29-2/h4-12,25-26H,13H2,1-3H3
InChIKeyNLCKPVCEBUCGLT-UHFFFAOYSA-N
MW438.43 g/mol
LogP4.00
Rot. Bonds7

About [2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate

[2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate (PubChem CID 67003208) has the molecular formula C24H22O8 and a molecular weight of 438.43 g/mol. Its IUPAC name is [2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate.

Molecular Properties

Compound Name[2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate
PubChem CID67003208
Molecular FormulaC24H22O8
Molecular Weight438.43 g/mol
Exact Mass438.13
IUPAC Name[2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate
SMILESCOc1cc(C(=O)OCc2ccccc2OC(=O)c2ccc(O)c(OC)c2C)ccc1O
InChIInChI=1S/C24H22O8/c1-14-17(9-11-19(26)22(14)30-3)24(28)32-20-7-5-4-6-16(20)13-31-23(27)15-8-10-18(25)21(12-15)29-2/h4-12,25-26H,13H2,1-3H3
InChIKeyNLCKPVCEBUCGLT-UHFFFAOYSA-N
XLogP4.00
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
(2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate
CID 59397478
3-(4-hydroxy-3-methoxybenzoyl)oxypropyl 4-hydroxy-3-methoxybenzoate
CID 45376005
ethanol;ethyl 4-hydroxy-3-methoxybenzoate;4-hydroxy-3-methoxybenzoic acid
CID 162180996
2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid
CID 134285063
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
(2-methoxyphenyl)methyl 4-methylsulfonyl-3-nitrobenzoate
CID 7638369
3-phenylpropyl 4-hydroxy-3-methoxybenzoate
CID 11977890
(2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate
CID 7921133
naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 7906497
(2-methoxyphenyl) 3-ethyl-2-methylbenzoate
CID 118039827
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753

Frequently Asked Questions

What is the IUPAC name of [2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate?
The IUPAC name of [2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate (CID 67003208) is [2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate.
What is the SMILES notation for [2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate?
The canonical SMILES for [2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate is COc1cc(C(=O)OCc2ccccc2OC(=O)c2ccc(O)c(OC)c2C)ccc1O.
What is the InChIKey of [2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate?
The InChIKey is NLCKPVCEBUCGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O8/c1-14-17(9-11-19(26)22(14)30-3)24(28)32-20-7-5-4-6-16(20)13-31-23(27)15-8-10-18(25)21(12-15)29-2/h4-12,25-26H,13H2,1-3H3.
What are the key properties of [2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate?
[2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate has a molecular weight of 438.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]phenyl] 4-hydroxy-3-methoxy-2-methylbenzoate is sourced from PubChem (CID 67003208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).