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

C15H14O3 — CID 88762106

IUPAC7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one
SMILESC=CCc1cc2ccc(=O)oc2c(CC=C)c1O
InChIInChI=1S/C15H14O3/c1-3-5-10-9-11-7-8-13(16)18-15(11)12(6-4-2)14(10)17/h3-4,7-9,17H,1-2,5-6H2
InChIKeyZEHKIRJONWFNFJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.96
Rot. Bonds4

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

7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one (PubChem CID 88762106) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one
PubChem CID88762106
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one
SMILESC=CCc1cc2ccc(=O)oc2c(CC=C)c1O
InChIInChI=1S/C15H14O3/c1-3-5-10-9-11-7-8-13(16)18-15(11)12(6-4-2)14(10)17/h3-4,7-9,17H,1-2,5-6H2
InChIKeyZEHKIRJONWFNFJ-UHFFFAOYSA-N
XLogP2.96
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.96
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-6,8-bis(prop-2-enyl)chromen-2-one
CID 139981642
6-[(2S)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-8-(3-methylbut-2-enyl)chromen-2-one
CID 163027378
8-(hydroxymethyl)-6-[[8-(hydroxymethyl)-7-methyl-2-oxochromen-6-yl]methyl]-7-methylchromen-2-one
CID 139221448
7-hydroxy-8-(2-methyliminoethyl)chromen-2-one
CID 167020442
7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one
CID 13298920
5,7-dihydroxy-4-phenyl-6,8-bis(prop-2-enyl)chromen-2-one
CID 71463561
7-hydroxy-4,5-dimethyl-8-prop-2-enylchromen-2-one
CID 12900448
8-(diethylaminomethyl)-6,7-dihydroxychromen-2-one
CID 5362175
8-(diethylaminomethyl)-6,7-dihydroxychromen-2-one;hydrochloride
CID 127256407
9-(hydroxymethyl)furo[3,2-g]chromen-7-one
CID 20823678
7-hydroxy-8-(3-hydroxypropyl)chromen-2-one
CID 145469984
3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol
CID 157436892

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one?
The IUPAC name of 7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one (CID 88762106) is 7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one?
The canonical SMILES for 7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one is C=CCc1cc2ccc(=O)oc2c(CC=C)c1O.
What is the InChIKey of 7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one?
The InChIKey is ZEHKIRJONWFNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-3-5-10-9-11-7-8-13(16)18-15(11)12(6-4-2)14(10)17/h3-4,7-9,17H,1-2,5-6H2.
What are the key properties of 7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one?
7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one has a molecular weight of 242.27 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6,8-bis(prop-2-enyl)chromen-2-one is sourced from PubChem (CID 88762106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).