2-oxo-6-phenylmethoxychromene-3-carbaldehyde

C17H12O4 — CID 135313712

IUPAC2-oxo-6-phenylmethoxychromene-3-carbaldehyde
SMILESO=Cc1cc2cc(OCc3ccccc3)ccc2oc1=O
InChIInChI=1S/C17H12O4/c18-10-14-8-13-9-15(6-7-16(13)21-17(14)19)20-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyZZPDLYCPQSJWQX-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.18
Rot. Bonds4

About 2-oxo-6-phenylmethoxychromene-3-carbaldehyde

2-oxo-6-phenylmethoxychromene-3-carbaldehyde (PubChem CID 135313712) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-oxo-6-phenylmethoxychromene-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-6-phenylmethoxychromene-3-carbaldehyde
PubChem CID135313712
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name2-oxo-6-phenylmethoxychromene-3-carbaldehyde
SMILESO=Cc1cc2cc(OCc3ccccc3)ccc2oc1=O
InChIInChI=1S/C17H12O4/c18-10-14-8-13-9-15(6-7-16(13)21-17(14)19)20-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyZZPDLYCPQSJWQX-UHFFFAOYSA-N
XLogP3.18
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-phenylmethoxychromen-2-one
CID 59816113
N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 65438802
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
3-diphenylphosphoryl-7-phenylmethoxychromen-2-one
CID 177465411
2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde
CID 172649681
1-(5-phenylmethoxy-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 113241380
5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran
CID 19918528
8-bromo-3-phenylmethoxybenzo[c]chromen-6-one
CID 164598270
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde
CID 118578588
6-[5-[(3-aminophenyl)methoxy]-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54728228

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-phenylmethoxychromene-3-carbaldehyde?
The IUPAC name of 2-oxo-6-phenylmethoxychromene-3-carbaldehyde (CID 135313712) is 2-oxo-6-phenylmethoxychromene-3-carbaldehyde.
What is the SMILES notation for 2-oxo-6-phenylmethoxychromene-3-carbaldehyde?
The canonical SMILES for 2-oxo-6-phenylmethoxychromene-3-carbaldehyde is O=Cc1cc2cc(OCc3ccccc3)ccc2oc1=O.
What is the InChIKey of 2-oxo-6-phenylmethoxychromene-3-carbaldehyde?
The InChIKey is ZZPDLYCPQSJWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c18-10-14-8-13-9-15(6-7-16(13)21-17(14)19)20-11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 2-oxo-6-phenylmethoxychromene-3-carbaldehyde?
2-oxo-6-phenylmethoxychromene-3-carbaldehyde has a molecular weight of 280.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-phenylmethoxychromene-3-carbaldehyde is sourced from PubChem (CID 135313712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).