7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one

C14H14O3 — CID 13298920

IUPAC7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one
SMILESC=CCc1c(O)c(C)cc2c(C)cc(=O)oc12
InChIInChI=1S/C14H14O3/c1-4-5-10-13(16)9(3)6-11-8(2)7-12(15)17-14(10)11/h4,6-7,16H,1,5H2,2-3H3
InChIKeyJNBUPTZEQSSROS-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.84
Rot. Bonds2

About 7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one

7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one (PubChem CID 13298920) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one
PubChem CID13298920
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one
SMILESC=CCc1c(O)c(C)cc2c(C)cc(=O)oc12
InChIInChI=1S/C14H14O3/c1-4-5-10-13(16)9(3)6-11-8(2)7-12(15)17-14(10)11/h4,6-7,16H,1,5H2,2-3H3
InChIKeyJNBUPTZEQSSROS-UHFFFAOYSA-N
XLogP2.84
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4,6-dimethyl-2-oxo-8-prop-2-enylchromen-7-yl) acetate
CID 13298923
ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate
CID 88718378
7-hydroxy-4,5-dimethyl-8-prop-2-enylchromen-2-one
CID 12900448
6,7-dihydroxy-4-methyl-8-prop-2-enylchromene-2-thione
CID 137292703
7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one
CID 139981642
5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one
CID 71463561
6-ethyl-7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
CID 102598102
7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one
CID 14089868
7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one
CID 88762106
(2,3,6-trimethyl-4-oxo-8-prop-2-enylchromen-7-yl) acetate
CID 14089870
6-(2-chloroprop-2-enyl)-7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
CID 131862178
8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one
CID 71342682

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one?
The IUPAC name of 7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one (CID 13298920) is 7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one.
What is the SMILES notation for 7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one?
The canonical SMILES for 7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one is C=CCc1c(O)c(C)cc2c(C)cc(=O)oc12.
What is the InChIKey of 7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one?
The InChIKey is JNBUPTZEQSSROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-4-5-10-13(16)9(3)6-11-8(2)7-12(15)17-14(10)11/h4,6-7,16H,1,5H2,2-3H3.
What are the key properties of 7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one?
7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one has a molecular weight of 230.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one is sourced from PubChem (CID 13298920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).