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

C16H14O6 — CID 54197243

IUPAC(2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate
SMILESCOc1ccc(OC(=O)Oc2ccccc2C(C)=O)cc1O
InChIInChI=1S/C16H14O6/c1-10(17)12-5-3-4-6-14(12)22-16(19)21-11-7-8-15(20-2)13(18)9-11/h3-9,18H,1-2H3
InChIKeyPMRYBNRYBRZNAD-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.18
Rot. Bonds4

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

(2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate (PubChem CID 54197243) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is (2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate.

Molecular Properties

Compound Name(2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate
PubChem CID54197243
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name(2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate
SMILESCOc1ccc(OC(=O)Oc2ccccc2C(C)=O)cc1O
InChIInChI=1S/C16H14O6/c1-10(17)12-5-3-4-6-14(12)22-16(19)21-11-7-8-15(20-2)13(18)9-11/h3-9,18H,1-2H3
InChIKeyPMRYBNRYBRZNAD-UHFFFAOYSA-N
XLogP3.18
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate
CID 54293633
(2-acetylphenyl) methyl carbonate
CID 14493761
(3-hydroxy-4-methoxyphenyl) 2-methoxy-6-methylbenzoate
CID 54297373
(2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate
CID 15365306
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
butyl (3-hydroxy-4-methoxyphenyl) carbonate
CID 54183003
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
(2-acetylphenyl) (2-formylphenyl) carbonate;ethene
CID 142249621
1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
CID 96559735
(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 59116114
1-(2-prop-1-en-2-yloxyphenyl)ethanone
CID 118199787
(3-acetyl-4-acetyloxyphenyl) acetate
CID 12746015

Frequently Asked Questions

What is the IUPAC name of (2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate?
The IUPAC name of (2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate (CID 54197243) is (2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate.
What is the SMILES notation for (2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate?
The canonical SMILES for (2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate is COc1ccc(OC(=O)Oc2ccccc2C(C)=O)cc1O.
What is the InChIKey of (2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate?
The InChIKey is PMRYBNRYBRZNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-10(17)12-5-3-4-6-14(12)22-16(19)21-11-7-8-15(20-2)13(18)9-11/h3-9,18H,1-2H3.
What are the key properties of (2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate?
(2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate has a molecular weight of 302.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetylphenyl) (3-hydroxy-4-methoxyphenyl) carbonate is sourced from PubChem (CID 54197243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).