[2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate

C17H18O6 — CID 11782110

IUPAC[2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate
SMILESCOC(=O)Oc1cc(OC)ccc1Cc1ccc(OC)cc1O
InChIInChI=1S/C17H18O6/c1-20-13-6-4-11(15(18)9-13)8-12-5-7-14(21-2)10-16(12)23-17(19)22-3/h4-7,9-10,18H,8H2,1-3H3
InChIKeyZOXCHGOGBPXJPM-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.15
Rot. Bonds5

About [2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate

[2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate (PubChem CID 11782110) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is [2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate.

Molecular Properties

Compound Name[2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate
PubChem CID11782110
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name[2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate
SMILESCOC(=O)Oc1cc(OC)ccc1Cc1ccc(OC)cc1O
InChIInChI=1S/C17H18O6/c1-20-13-6-4-11(15(18)9-13)8-12-5-7-14(21-2)10-16(12)23-17(19)22-3/h4-7,9-10,18H,8H2,1-3H3
InChIKeyZOXCHGOGBPXJPM-UHFFFAOYSA-N
XLogP3.15
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876
2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 61499464
(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 11096269
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
2-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide
CID 82109866
2-[(2-hydroxy-4-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 82977637
[2-(hydrazinylmethyl)-5-methoxyphenyl] acetate
CID 67761426
(3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate
CID 86052866
2-(aminomethyl)-5-methoxyphenol;ethane
CID 154662698
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
5-methoxy-2-propylphenol
CID 12836519

Frequently Asked Questions

What is the IUPAC name of [2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate?
The IUPAC name of [2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate (CID 11782110) is [2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate.
What is the SMILES notation for [2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate?
The canonical SMILES for [2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate is COC(=O)Oc1cc(OC)ccc1Cc1ccc(OC)cc1O.
What is the InChIKey of [2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate?
The InChIKey is ZOXCHGOGBPXJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O6/c1-20-13-6-4-11(15(18)9-13)8-12-5-7-14(21-2)10-16(12)23-17(19)22-3/h4-7,9-10,18H,8H2,1-3H3.
What are the key properties of [2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate?
[2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate has a molecular weight of 318.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate is sourced from PubChem (CID 11782110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).