hydroxy (4-methylphenyl) carbonate

C8H8O4 — CID 142152558

IUPAChydroxy (4-methylphenyl) carbonate
SMILESCc1ccc(OC(=O)OO)cc1
InChIInChI=1S/C8H8O4/c1-6-2-4-7(5-3-6)11-8(9)12-10/h2-5,10H,1H3
InChIKeyLXWUOOTWJAGZBI-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.98
Rot. Bonds1

About hydroxy (4-methylphenyl) carbonate

hydroxy (4-methylphenyl) carbonate (PubChem CID 142152558) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is hydroxy (4-methylphenyl) carbonate.

Molecular Properties

Compound Namehydroxy (4-methylphenyl) carbonate
PubChem CID142152558
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Namehydroxy (4-methylphenyl) carbonate
SMILESCc1ccc(OC(=O)OO)cc1
InChIInChI=1S/C8H8O4/c1-6-2-4-7(5-3-6)11-8(9)12-10/h2-5,10H,1H3
InChIKeyLXWUOOTWJAGZBI-UHFFFAOYSA-N
XLogP1.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

bis(4-methylphenyl) carbonate;ethane
CID 145416039
(4-methylphenyl) hydrogen carbonate
CID 19016637
(4-methylphenyl) acetate;zinc
CID 159589232
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
(4-methylphenoxy)methanethioic S-acid;hydrochloride
CID 88842669
(4-methylphenyl) methylsulfanylformate
CID 14404355
bis(4-methylphenyl) butanedioate
CID 14740597
4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate
CID 161066269
(4-methylphenyl) 2-sulfanylethyl carbonate
CID 166767633
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093
tert-butyl [4-[2-(4-methylphenyl)propan-2-yl]phenyl] carbonate
CID 20610670

Frequently Asked Questions

What is the IUPAC name of hydroxy (4-methylphenyl) carbonate?
The IUPAC name of hydroxy (4-methylphenyl) carbonate (CID 142152558) is hydroxy (4-methylphenyl) carbonate.
What is the SMILES notation for hydroxy (4-methylphenyl) carbonate?
The canonical SMILES for hydroxy (4-methylphenyl) carbonate is Cc1ccc(OC(=O)OO)cc1.
What is the InChIKey of hydroxy (4-methylphenyl) carbonate?
The InChIKey is LXWUOOTWJAGZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c1-6-2-4-7(5-3-6)11-8(9)12-10/h2-5,10H,1H3.
What are the key properties of hydroxy (4-methylphenyl) carbonate?
hydroxy (4-methylphenyl) carbonate has a molecular weight of 168.15 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy (4-methylphenyl) carbonate is sourced from PubChem (CID 142152558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).