7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one

C11H12O3 — CID 15517821

IUPAC7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one
SMILESCc1c(O)ccc2c1OC(=O)CC2C
InChIInChI=1S/C11H12O3/c1-6-5-10(13)14-11-7(2)9(12)4-3-8(6)11/h3-4,6,12H,5H2,1-2H3
InChIKeyVLCWLHFIUJAALH-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.11
Rot. Bonds

About 7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one

7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one (PubChem CID 15517821) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one
PubChem CID15517821
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one
SMILESCc1c(O)ccc2c1OC(=O)CC2C
InChIInChI=1S/C11H12O3/c1-6-5-10(13)14-11-7(2)9(12)4-3-8(6)11/h3-4,6,12H,5H2,1-2H3
InChIKeyVLCWLHFIUJAALH-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one
CID 11745468
2,5,9-trimethyl-5,6-dihydrofuro[3,2-g]chromen-7-one
CID 15725638
7-hydroxy-1,3,6-trimethyl-3a,9b-dihydrochromeno[3,4-c]pyrazol-4-one
CID 10444586
(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 130738460
7-[ethyl(methyl)amino]-4-methyl-3,4-dihydrochromen-2-one
CID 175219385
3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol
CID 58913608
(3R)-7-hydroxy-3-methyl-3H-1-benzofuran-2-one
CID 124584192
2-[(4-methyl-2-oxo-3,4-dihydrochromen-7-yl)amino]acetonitrile
CID 163209070
7-[ethyl(propan-2-yl)amino]-4-methyl-3,4-dihydrochromen-2-one
CID 163208936
1,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 130033796
2-methylbenzene-1,3-diol
CID 139200813
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one?
The IUPAC name of 7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one (CID 15517821) is 7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one is Cc1c(O)ccc2c1OC(=O)CC2C.
What is the InChIKey of 7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one?
The InChIKey is VLCWLHFIUJAALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-6-5-10(13)14-11-7(2)9(12)4-3-8(6)11/h3-4,6,12H,5H2,1-2H3.
What are the key properties of 7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one?
7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one has a molecular weight of 192.21 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4,8-dimethyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 15517821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).