phenol;phenyl hydrogen carbonate

C20H18O7 — CID 23470013

IUPACphenol;phenyl hydrogen carbonate
SMILESO=C(O)Oc1ccccc1.O=C(O)Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C7H6O3.C6H6O/c2*8-7(9)10-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h2*1-5H,(H,8,9);1-5,7H
InChIKeyGESPOHTYZGUREE-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.88
Rot. Bonds2

About phenol;phenyl hydrogen carbonate

phenol;phenyl hydrogen carbonate (PubChem CID 23470013) has the molecular formula C20H18O7 and a molecular weight of 370.36 g/mol. Its IUPAC name is phenol;phenyl hydrogen carbonate.

Molecular Properties

Compound Namephenol;phenyl hydrogen carbonate
PubChem CID23470013
Molecular FormulaC20H18O7
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Namephenol;phenyl hydrogen carbonate
SMILESO=C(O)Oc1ccccc1.O=C(O)Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C7H6O3.C6H6O/c2*8-7(9)10-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h2*1-5H,(H,8,9);1-5,7H
InChIKeyGESPOHTYZGUREE-UHFFFAOYSA-N
XLogP4.88
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze phenol;phenyl hydrogen 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

(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 118078754
phenyl hydrogen carbonate;sulfur dioxide
CID 67864453
diphenyl benzene-1,2-dicarboxylate;phenol
CID 174922398
dimethyl carbonate;methanol;methyl phenyl carbonate;phenol
CID 158199044
methyl hydrogen carbonate;phenol
CID 126664263
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327
[4-(4-hydroxyphenyl)phenyl] phenyl carbonate
CID 146436469
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl acetate;hydroiodide
CID 172788123
molecular oxygen;phenol
CID 141080591
acetyl chloride;phenol;phenyl 2,2,2-trichloroacetate
CID 161432438
carbonic acid;methyl 2-hydroxybenzoate;phenyl hydrogen carbonate
CID 159882393

Frequently Asked Questions

What is the IUPAC name of phenol;phenyl hydrogen carbonate?
The IUPAC name of phenol;phenyl hydrogen carbonate (CID 23470013) is phenol;phenyl hydrogen carbonate.
What is the SMILES notation for phenol;phenyl hydrogen carbonate?
The canonical SMILES for phenol;phenyl hydrogen carbonate is O=C(O)Oc1ccccc1.O=C(O)Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of phenol;phenyl hydrogen carbonate?
The InChIKey is GESPOHTYZGUREE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O3.C6H6O/c2*8-7(9)10-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h2*1-5H,(H,8,9);1-5,7H.
What are the key properties of phenol;phenyl hydrogen carbonate?
phenol;phenyl hydrogen carbonate has a molecular weight of 370.36 g/mol, XLogP of 4.88, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;phenyl hydrogen carbonate is sourced from PubChem (CID 23470013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).