2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

C15H16O3 — CID 5348533

IUPAC2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
SMILESCCc1cc2c3c(c(=O)oc2cc1O)CCCC3
InChIInChI=1S/C15H16O3/c1-2-9-7-12-10-5-3-4-6-11(10)15(17)18-14(12)8-13(9)16/h7-8,16H,2-6H2,1H3
InChIKeyULRCJDZFIIRZIM-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.94
Rot. Bonds1

About 2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one (PubChem CID 5348533) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
PubChem CID5348533
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
SMILESCCc1cc2c3c(c(=O)oc2cc1O)CCCC3
InChIInChI=1S/C15H16O3/c1-2-9-7-12-10-5-3-4-6-11(10)15(17)18-14(12)8-13(9)16/h7-8,16H,2-6H2,1H3
InChIKeyULRCJDZFIIRZIM-UHFFFAOYSA-N
XLogP2.94
TPSA50.44 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The IUPAC name of 2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one (CID 5348533) is 2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The canonical SMILES for 2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is CCc1cc2c3c(c(=O)oc2cc1O)CCCC3.
What is the InChIKey of 2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The InChIKey is ULRCJDZFIIRZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-2-9-7-12-10-5-3-4-6-11(10)15(17)18-14(12)8-13(9)16/h7-8,16H,2-6H2,1H3.
What are the key properties of 2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one has a molecular weight of 244.29 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is sourced from PubChem (CID 5348533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).