(4-methoxyphenyl) hydrogen carbonate

C8H8O4 — CID 19016633

IUPAC(4-methoxyphenyl) hydrogen carbonate
SMILESCOc1ccc(OC(=O)O)cc1
InChIInChI=1S/C8H8O4/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyYPVXJZZFSIKIDF-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.75
Rot. Bonds2

About (4-methoxyphenyl) hydrogen carbonate

(4-methoxyphenyl) hydrogen carbonate (PubChem CID 19016633) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is (4-methoxyphenyl) hydrogen carbonate.

Molecular Properties

Compound Name(4-methoxyphenyl) hydrogen carbonate
PubChem CID19016633
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name(4-methoxyphenyl) hydrogen carbonate
SMILESCOc1ccc(OC(=O)O)cc1
InChIInChI=1S/C8H8O4/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyYPVXJZZFSIKIDF-UHFFFAOYSA-N
XLogP1.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) hydrogen carbonate
CID 19016637
acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten
CID 20709048
bis(4-methoxyphenyl) propanedioate
CID 12000137
(4-methoxyphenyl) 2-oxoacetate
CID 165359062
bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 89106310
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
bis(4-methoxyphenyl) octanedioate
CID 89115465
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
[4-[4-(4-carboxyoxyphenoxy)butoxy]phenyl] hydrogen carbonate
CID 70558377

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) hydrogen carbonate?
The IUPAC name of (4-methoxyphenyl) hydrogen carbonate (CID 19016633) is (4-methoxyphenyl) hydrogen carbonate.
What is the SMILES notation for (4-methoxyphenyl) hydrogen carbonate?
The canonical SMILES for (4-methoxyphenyl) hydrogen carbonate is COc1ccc(OC(=O)O)cc1.
What is the InChIKey of (4-methoxyphenyl) hydrogen carbonate?
The InChIKey is YPVXJZZFSIKIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2-5H,1H3,(H,9,10).
What are the key properties of (4-methoxyphenyl) hydrogen carbonate?
(4-methoxyphenyl) hydrogen carbonate has a molecular weight of 168.15 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) hydrogen carbonate is sourced from PubChem (CID 19016633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).