(2-formylphenyl) 2-methoxycarbonyloxybenzoate

C16H12O6 — CID 10402512

IUPAC(2-formylphenyl) 2-methoxycarbonyloxybenzoate
SMILESCOC(=O)Oc1ccccc1C(=O)Oc1ccccc1C=O
InChIInChI=1S/C16H12O6/c1-20-16(19)22-14-9-5-3-7-12(14)15(18)21-13-8-4-2-6-11(13)10-17/h2-10H,1H3
InChIKeyPWUSKDZCSQHSSK-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.86
Rot. Bonds4

About (2-formylphenyl) 2-methoxycarbonyloxybenzoate

(2-formylphenyl) 2-methoxycarbonyloxybenzoate (PubChem CID 10402512) has the molecular formula C16H12O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is (2-formylphenyl) 2-methoxycarbonyloxybenzoate.

Molecular Properties

Compound Name(2-formylphenyl) 2-methoxycarbonyloxybenzoate
PubChem CID10402512
Molecular FormulaC16H12O6
Molecular Weight300.27 g/mol
Exact Mass300.06
IUPAC Name(2-formylphenyl) 2-methoxycarbonyloxybenzoate
SMILESCOC(=O)Oc1ccccc1C(=O)Oc1ccccc1C=O
InChIInChI=1S/C16H12O6/c1-20-16(19)22-14-9-5-3-7-12(14)15(18)21-13-8-4-2-6-11(13)10-17/h2-10H,1H3
InChIKeyPWUSKDZCSQHSSK-UHFFFAOYSA-N
XLogP2.86
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl) 2-methoxycarbonyloxybenzoate
CID 69024261
(2-acetylphenyl) (2-formylphenyl) carbonate;ethene
CID 142249621
(2-formylphenyl) 2-propoxybenzoate
CID 23011742
(2-acetylphenyl) methyl carbonate
CID 14493761
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
CID 11841339
propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate
CID 66977286
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2-methoxybenzoate
CID 5088439
2-formyl-3-(2-formylbenzoyl)oxybenzoic acid
CID 54082048
[2-(1-methoxy-1-oxobut-2-en-2-yl)phenyl] benzoate
CID 57282242
[2-(2-formylbenzoyl)phenyl] 2-methylpropanoate
CID 123767326
2-(3-oxobutan-2-yloxy)benzaldehyde
CID 23468859

Frequently Asked Questions

What is the IUPAC name of (2-formylphenyl) 2-methoxycarbonyloxybenzoate?
The IUPAC name of (2-formylphenyl) 2-methoxycarbonyloxybenzoate (CID 10402512) is (2-formylphenyl) 2-methoxycarbonyloxybenzoate.
What is the SMILES notation for (2-formylphenyl) 2-methoxycarbonyloxybenzoate?
The canonical SMILES for (2-formylphenyl) 2-methoxycarbonyloxybenzoate is COC(=O)Oc1ccccc1C(=O)Oc1ccccc1C=O.
What is the InChIKey of (2-formylphenyl) 2-methoxycarbonyloxybenzoate?
The InChIKey is PWUSKDZCSQHSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6/c1-20-16(19)22-14-9-5-3-7-12(14)15(18)21-13-8-4-2-6-11(13)10-17/h2-10H,1H3.
What are the key properties of (2-formylphenyl) 2-methoxycarbonyloxybenzoate?
(2-formylphenyl) 2-methoxycarbonyloxybenzoate has a molecular weight of 300.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formylphenyl) 2-methoxycarbonyloxybenzoate is sourced from PubChem (CID 10402512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).