6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde

C14H12O4 — CID 12011187

IUPAC6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde
SMILESCc1cc(=O)c(OCc2ccccc2)c(C=O)o1
InChIInChI=1S/C14H12O4/c1-10-7-12(16)14(13(8-15)18-10)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyQODDKYKRVSWARB-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.34
Rot. Bonds4

About 6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde

6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde (PubChem CID 12011187) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde
PubChem CID12011187
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde
SMILESCc1cc(=O)c(OCc2ccccc2)c(C=O)o1
InChIInChI=1S/C14H12O4/c1-10-7-12(16)14(13(8-15)18-10)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyQODDKYKRVSWARB-UHFFFAOYSA-N
XLogP2.34
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(3-chlorophenyl)sulfonylethyl]-4-oxo-3-phenylmethoxypyran-2-carbaldehyde
CID 153226929
2-methyl-3-phenylmethoxypyran-4-one
CID 1490119
2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995
6-methyl-N-naphthalen-1-yl-4-oxo-3-phenylmethoxypyran-2-carboxamide
CID 44593096
9-methoxy-7-methyl-4-phenylmethoxyfuro[3,2-g]chromen-5-one
CID 11537346
2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde
CID 86653777
3-(3,5-dimethyl-4-phenylmethoxyphenyl)butanal
CID 117453947
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
2,6-bis(hydroxymethyl)-3-phenylmethoxypyran-4-one
CID 18428308
4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
CID 142270247
5,13-dimethoxy-10-methyl-4,14-bis(phenylmethoxy)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
CID 135025053
8-[(dibenzylamino)methyl]-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 46933664

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde?
The IUPAC name of 6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde (CID 12011187) is 6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde.
What is the SMILES notation for 6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde?
The canonical SMILES for 6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde is Cc1cc(=O)c(OCc2ccccc2)c(C=O)o1.
What is the InChIKey of 6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde?
The InChIKey is QODDKYKRVSWARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-10-7-12(16)14(13(8-15)18-10)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde?
6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde has a molecular weight of 244.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde is sourced from PubChem (CID 12011187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).