5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one

C15H16O4 — CID 139030642

IUPAC5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one
SMILESCC1(C)C=Cc2c(CCO)cc3c(c2O1)COC3=O
InChIInChI=1S/C15H16O4/c1-15(2)5-3-10-9(4-6-16)7-11-12(13(10)19-15)8-18-14(11)17/h3,5,7,16H,4,6,8H2,1-2H3
InChIKeyUXHHDHUSUQQSIN-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.08
Rot. Bonds2

About 5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one

5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one (PubChem CID 139030642) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one
PubChem CID139030642
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one
SMILESCC1(C)C=Cc2c(CCO)cc3c(c2O1)COC3=O
InChIInChI=1S/C15H16O4/c1-15(2)5-3-10-9(4-6-16)7-11-12(13(10)19-15)8-18-14(11)17/h3,5,7,16H,4,6,8H2,1-2H3
InChIKeyUXHHDHUSUQQSIN-UHFFFAOYSA-N
XLogP2.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one?
The IUPAC name of 5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one (CID 139030642) is 5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one is CC1(C)C=Cc2c(CCO)cc3c(c2O1)COC3=O.
What is the InChIKey of 5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one?
The InChIKey is UXHHDHUSUQQSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-15(2)5-3-10-9(4-6-16)7-11-12(13(10)19-15)8-18-14(11)17/h3,5,7,16H,4,6,8H2,1-2H3.
What are the key properties of 5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one?
5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one has a molecular weight of 260.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2,2-dimethyl-9H-furo[3,4-h]chromen-7-one is sourced from PubChem (CID 139030642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).