3-methyl-2,3-dihydrochromen-4-one

C10H10O2 — CID 11073737

IUPAC3-methyl-2,3-dihydrochromen-4-one
SMILESCC1COc2ccccc2C1=O
InChIInChI=1S/C10H10O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3
InChIKeyPYKLMHVJWGDWOH-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.90
Rot. Bonds

About 3-methyl-2,3-dihydrochromen-4-one

3-methyl-2,3-dihydrochromen-4-one (PubChem CID 11073737) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-methyl-2,3-dihydrochromen-4-one
PubChem CID11073737
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3-methyl-2,3-dihydrochromen-4-one
SMILESCC1COc2ccccc2C1=O
InChIInChI=1S/C10H10O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3
InChIKeyPYKLMHVJWGDWOH-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61151
6-Methoxyflavone
CID 147157
4'-Hydroxyflavanone
CID 165506
2-Methoxybenzaldehyde
CID 8658
3-Methylchromone
CID 66569
Ethyl 2-Methoxybenzoate
CID 81784
2'-Hydroxyflavone
CID 161860

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-methyl-2,3-dihydrochromen-4-one (CID 11073737) is 3-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-methyl-2,3-dihydrochromen-4-one is CC1COc2ccccc2C1=O.
What is the InChIKey of 3-methyl-2,3-dihydrochromen-4-one?
The InChIKey is PYKLMHVJWGDWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3.
What are the key properties of 3-methyl-2,3-dihydrochromen-4-one?
3-methyl-2,3-dihydrochromen-4-one has a molecular weight of 162.19 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 11073737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).