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

C10H10O2 — CID 23513095

IUPAC8-methyl-3,4-dihydrochromen-2-one
SMILESCc1cccc2c1OC(=O)CC2
InChIInChI=1S/C10H10O2/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h2-4H,5-6H2,1H3
InChIKeyWQHAWQJLMGDBOS-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.85
Rot. Bonds

About 8-methyl-3,4-dihydrochromen-2-one

8-methyl-3,4-dihydrochromen-2-one (PubChem CID 23513095) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 8-methyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name8-methyl-3,4-dihydrochromen-2-one
PubChem CID23513095
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name8-methyl-3,4-dihydrochromen-2-one
SMILESCc1cccc2c1OC(=O)CC2
InChIInChI=1S/C10H10O2/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h2-4H,5-6H2,1H3
InChIKeyWQHAWQJLMGDBOS-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
3,4-dihydrobenzo[h]chromen-2-one
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CID 118474888
2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine
CID 158577824
8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 117051012
4,5-dimethyl-2,9-dihydro-1H-xanthene
CID 163641036
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethanamine
CID 114745152
8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene
CID 158337388
2-chloro-5,9a-dimethyl-1,9-dihydroxanthene
CID 71399659
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
(4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one
CID 804457

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,4-dihydrochromen-2-one?
The IUPAC name of 8-methyl-3,4-dihydrochromen-2-one (CID 23513095) is 8-methyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 8-methyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 8-methyl-3,4-dihydrochromen-2-one is Cc1cccc2c1OC(=O)CC2.
What is the InChIKey of 8-methyl-3,4-dihydrochromen-2-one?
The InChIKey is WQHAWQJLMGDBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h2-4H,5-6H2,1H3.
What are the key properties of 8-methyl-3,4-dihydrochromen-2-one?
8-methyl-3,4-dihydrochromen-2-one has a molecular weight of 162.19 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 23513095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).