(3-formylphenyl) formate

C8H6O3 — CID 58195323

IUPAC(3-formylphenyl) formate
SMILESO=COc1cccc(C=O)c1
InChIInChI=1S/C8H6O3/c9-5-7-2-1-3-8(4-7)11-6-10/h1-6H
InChIKeyQYQYZVCDTHMQGA-UHFFFAOYSA-N
MW150.13 g/mol
LogP1.03
Rot. Bonds3

About (3-formylphenyl) formate

(3-formylphenyl) formate (PubChem CID 58195323) has the molecular formula C8H6O3 and a molecular weight of 150.13 g/mol. Its IUPAC name is (3-formylphenyl) formate.

Molecular Properties

Compound Name(3-formylphenyl) formate
PubChem CID58195323
Molecular FormulaC8H6O3
Molecular Weight150.13 g/mol
Exact Mass150.03
IUPAC Name(3-formylphenyl) formate
SMILESO=COc1cccc(C=O)c1
InChIInChI=1S/C8H6O3/c9-5-7-2-1-3-8(4-7)11-6-10/h1-6H
InChIKeyQYQYZVCDTHMQGA-UHFFFAOYSA-N
XLogP1.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-formyloxyphenyl) formate
CID 18792339
bis(3-formylphenyl) oxalate
CID 10968521
(3-bromophenyl) formate
CID 23207322
3-(trideuterio(113C)methoxy)benzaldehyde
CID 165416828
3-(fluoromethoxy)benzaldehyde
CID 22718686
CID 87675096
CID 87675096
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
3-(4-bromophenoxy)benzaldehyde
CID 12874363
3-(3-oxopropoxy)benzaldehyde
CID 63040628
3-(3,5-dimethoxyphenoxy)benzaldehyde
CID 63944242
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde
CID 102722458

Frequently Asked Questions

What is the IUPAC name of (3-formylphenyl) formate?
The IUPAC name of (3-formylphenyl) formate (CID 58195323) is (3-formylphenyl) formate.
What is the SMILES notation for (3-formylphenyl) formate?
The canonical SMILES for (3-formylphenyl) formate is O=COc1cccc(C=O)c1.
What is the InChIKey of (3-formylphenyl) formate?
The InChIKey is QYQYZVCDTHMQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3/c9-5-7-2-1-3-8(4-7)11-6-10/h1-6H.
What are the key properties of (3-formylphenyl) formate?
(3-formylphenyl) formate has a molecular weight of 150.13 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formylphenyl) formate is sourced from PubChem (CID 58195323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).