2,3-dimethyl-4-oxochromene-8-carbaldehyde

C12H10O3 — CID 155387779

IUPAC2,3-dimethyl-4-oxochromene-8-carbaldehyde
SMILESCc1oc2c(C=O)cccc2c(=O)c1C
InChIInChI=1S/C12H10O3/c1-7-8(2)15-12-9(6-13)4-3-5-10(12)11(7)14/h3-6H,1-2H3
InChIKeyPUUBHWZCUHISQS-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.22
Rot. Bonds1

About 2,3-dimethyl-4-oxochromene-8-carbaldehyde

2,3-dimethyl-4-oxochromene-8-carbaldehyde (PubChem CID 155387779) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxochromene-8-carbaldehyde.

Molecular Properties

Compound Name2,3-dimethyl-4-oxochromene-8-carbaldehyde
PubChem CID155387779
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name2,3-dimethyl-4-oxochromene-8-carbaldehyde
SMILESCc1oc2c(C=O)cccc2c(=O)c1C
InChIInChI=1S/C12H10O3/c1-7-8(2)15-12-9(6-13)4-3-5-10(12)11(7)14/h3-6H,1-2H3
InChIKeyPUUBHWZCUHISQS-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.22
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

5,6-dimethyl-9-oxoxanthene-4-carbaldehyde
CID 156873174
2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one
CID 70447712
8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one
CID 19972682
4-oxo-2-phenylchromene-8-carbaldehyde
CID 13233926
4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde
CID 23468872
3-methyl-2-oxochromene-8-carbaldehyde
CID 13429634
8-[4-(1,3-dioxolan-2-yl)but-1-enyl]-3-methyl-2-phenylchromen-4-one
CID 67715075
6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde
CID 77107216
2-methyl-8-[(E)-prop-1-enyl]chromen-4-one
CID 57438887
2-methoxy-1,3-benzoxazole-7-carbaldehyde
CID 131191307
8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one
CID 3050900
8-amino-3-methyl-2-phenylchromen-4-one
CID 19972808

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxochromene-8-carbaldehyde?
The IUPAC name of 2,3-dimethyl-4-oxochromene-8-carbaldehyde (CID 155387779) is 2,3-dimethyl-4-oxochromene-8-carbaldehyde.
What is the SMILES notation for 2,3-dimethyl-4-oxochromene-8-carbaldehyde?
The canonical SMILES for 2,3-dimethyl-4-oxochromene-8-carbaldehyde is Cc1oc2c(C=O)cccc2c(=O)c1C.
What is the InChIKey of 2,3-dimethyl-4-oxochromene-8-carbaldehyde?
The InChIKey is PUUBHWZCUHISQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-7-8(2)15-12-9(6-13)4-3-5-10(12)11(7)14/h3-6H,1-2H3.
What are the key properties of 2,3-dimethyl-4-oxochromene-8-carbaldehyde?
2,3-dimethyl-4-oxochromene-8-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxochromene-8-carbaldehyde is sourced from PubChem (CID 155387779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).