(3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate

C14H12O6 — CID 54293633

IUPAC(3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate
SMILESCOc1ccc(OC(=O)Oc2ccccc2O)cc1O
InChIInChI=1S/C14H12O6/c1-18-12-7-6-9(8-11(12)16)19-14(17)20-13-5-3-2-4-10(13)15/h2-8,15-16H,1H3
InChIKeyRZGJRYIAIJCOCG-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.68
Rot. Bonds3

About (3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate

(3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate (PubChem CID 54293633) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is (3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate.

Molecular Properties

Compound Name(3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate
PubChem CID54293633
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name(3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate
SMILESCOc1ccc(OC(=O)Oc2ccccc2O)cc1O
InChIInChI=1S/C14H12O6/c1-18-12-7-6-9(8-11(12)16)19-14(17)20-13-5-3-2-4-10(13)15/h2-8,15-16H,1H3
InChIKeyRZGJRYIAIJCOCG-UHFFFAOYSA-N
XLogP2.68
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate
CID 54197243
butyl (3-hydroxy-4-methoxyphenyl) carbonate
CID 54183003
(3-hydroxy-4-methoxyphenyl) 2-methoxy-6-methylbenzoate
CID 54297373
2-methoxyphenol;oxalic acid
CID 162319729
azane;2-methoxyphenol
CID 172717837
(3,4-dimethoxyphenyl) methyl carbonate
CID 175298051
(3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate
CID 54436622
methanethiol;2-methoxyphenol
CID 141484211
2-methoxyphenol;molecular bromine
CID 141484212
(2-methyl-4-phenoxycarbonyloxyphenyl) phenyl carbonate
CID 102274575
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
(2-hydroxy-4-methoxyphenyl) N,N-dimethylcarbamate
CID 125485691

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate?
The IUPAC name of (3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate (CID 54293633) is (3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate.
What is the SMILES notation for (3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate?
The canonical SMILES for (3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate is COc1ccc(OC(=O)Oc2ccccc2O)cc1O.
What is the InChIKey of (3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate?
The InChIKey is RZGJRYIAIJCOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6/c1-18-12-7-6-9(8-11(12)16)19-14(17)20-13-5-3-2-4-10(13)15/h2-8,15-16H,1H3.
What are the key properties of (3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate?
(3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate has a molecular weight of 276.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate is sourced from PubChem (CID 54293633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).