4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one

C15H16O3 — CID 123676443

IUPAC4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one
SMILESO=C1C=CC(C2COc3cc(O)ccc3C2)CC1
InChIInChI=1S/C15H16O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1,3-4,6,8,10,12,17H,2,5,7,9H2
InChIKeyJDEAYJDZMBQUGR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.48
Rot. Bonds1

About 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one

4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one (PubChem CID 123676443) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one
PubChem CID123676443
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one
SMILESO=C1C=CC(C2COc3cc(O)ccc3C2)CC1
InChIInChI=1S/C15H16O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1,3-4,6,8,10,12,17H,2,5,7,9H2
InChIKeyJDEAYJDZMBQUGR-UHFFFAOYSA-N
XLogP2.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one?
The IUPAC name of 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one (CID 123676443) is 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one?
The canonical SMILES for 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one is O=C1C=CC(C2COc3cc(O)ccc3C2)CC1.
What is the InChIKey of 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one?
The InChIKey is JDEAYJDZMBQUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1,3-4,6,8,10,12,17H,2,5,7,9H2.
What are the key properties of 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one?
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one has a molecular weight of 244.29 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 123676443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).