7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one

C13H14O3 — CID 163109665

IUPAC7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one
SMILESCC=CC1CC(=O)c2cc(C)c(O)cc2O1
InChIInChI=1S/C13H14O3/c1-3-4-9-6-12(15)10-5-8(2)11(14)7-13(10)16-9/h3-5,7,9,14H,6H2,1-2H3
InChIKeyIGGXNHPZFBZIBM-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.61
Rot. Bonds1

About 7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one

7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one (PubChem CID 163109665) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one
PubChem CID163109665
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one
SMILESCC=CC1CC(=O)c2cc(C)c(O)cc2O1
InChIInChI=1S/C13H14O3/c1-3-4-9-6-12(15)10-5-8(2)11(14)7-13(10)16-9/h3-5,7,9,14H,6H2,1-2H3
InChIKeyIGGXNHPZFBZIBM-UHFFFAOYSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(2-methylprop-1-enyl)-2,3-dihydrochromen-4-one
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CID 134169933
(2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one
CID 52953388
(2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 169174293
2,6-dihydroxy-1,1,7-trimethyl-10,10a-dihydro-2H-phenanthrene-3,9-dione
CID 56677956
7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 5321775
6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one
CID 12664412
(2R)-2-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1-benzofuran-5,7-diol
CID 11969970
(7R)-3-hydroxy-2-methyl-11-oxo-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylic acid
CID 139462160
6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one
CID 11745468
5-hydroxy-6-methyl-2,3-dihydroinden-1-one;trichloroalumane
CID 158655630
7-hydroxy-2-[4-(7-hydroxy-5-methyl-8-oxo-3,4-dihydro-2H-cyclohepta[b]pyran-2-yl)buta-1,3-dienyl]-3,5-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-8-one
CID 135459916

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one?
The IUPAC name of 7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one (CID 163109665) is 7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one is CC=CC1CC(=O)c2cc(C)c(O)cc2O1.
What is the InChIKey of 7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one?
The InChIKey is IGGXNHPZFBZIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-3-4-9-6-12(15)10-5-8(2)11(14)7-13(10)16-9/h3-5,7,9,14H,6H2,1-2H3.
What are the key properties of 7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one?
7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one has a molecular weight of 218.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methyl-2-prop-1-enyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 163109665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).