7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one

C17H18O3 — CID 139981642

IUPAC7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one
SMILESC=CCc1cc2c(C)c(C)c(=O)oc2c(CC=C)c1O
InChIInChI=1S/C17H18O3/c1-5-7-12-9-14-10(3)11(4)17(19)20-16(14)13(8-6-2)15(12)18/h5-6,9,18H,1-2,7-8H2,3-4H3
InChIKeyAQOCRSVVJXLOCL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.57
Rot. Bonds4

About 7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one

7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one (PubChem CID 139981642) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one
PubChem CID139981642
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one
SMILESC=CCc1cc2c(C)c(C)c(=O)oc2c(CC=C)c1O
InChIInChI=1S/C17H18O3/c1-5-7-12-9-14-10(3)11(4)17(19)20-16(14)13(8-6-2)15(12)18/h5-6,9,18H,1-2,7-8H2,3-4H3
InChIKeyAQOCRSVVJXLOCL-UHFFFAOYSA-N
XLogP3.57
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.57
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

7-hydroxy-3,4-dimethyl-8-prop-2-enylchromen-2-one
CID 6020802
7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one
CID 88762106
7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one
CID 13298920
3-chloro-7-hydroxy-4-methyl-8-prop-2-enylchromen-2-one
CID 14068749
7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one
CID 14089868
6,7-dihydroxy-4-methyl-8-prop-2-enylchromene-2-thione
CID 137292703
4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde
CID 59720398
3-hydroxy-2-methoxy-4-prop-2-enylxanthen-9-one
CID 172638269
9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one
CID 54380904
2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol
CID 11437162
7-hydroxy-4,5-dimethyl-8-prop-2-enylchromen-2-one
CID 12900448
(2,3,6-trimethyl-4-oxo-8-prop-2-enylchromen-7-yl) acetate
CID 14089870

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one?
The IUPAC name of 7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one (CID 139981642) is 7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one?
The canonical SMILES for 7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one is C=CCc1cc2c(C)c(C)c(=O)oc2c(CC=C)c1O.
What is the InChIKey of 7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one?
The InChIKey is AQOCRSVVJXLOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-5-7-12-9-14-10(3)11(4)17(19)20-16(14)13(8-6-2)15(12)18/h5-6,9,18H,1-2,7-8H2,3-4H3.
What are the key properties of 7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one?
7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one has a molecular weight of 270.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,4-dimethyl-6,8-bis(prop-2-enyl)chromen-2-one is sourced from PubChem (CID 139981642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).