6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one

C14H16O6 — CID 20526547

IUPAC6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OC(C)O)c(OC(C)O)cc12
InChIInChI=1S/C14H16O6/c1-7-4-14(17)20-11-6-13(19-9(3)16)12(5-10(7)11)18-8(2)15/h4-6,8-9,15-16H,1-3H3
InChIKeyGMZDSFRXYJBUHU-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.54
Rot. Bonds4

About 6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one

6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one (PubChem CID 20526547) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one.

Molecular Properties

Compound Name6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one
PubChem CID20526547
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Name6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OC(C)O)c(OC(C)O)cc12
InChIInChI=1S/C14H16O6/c1-7-4-14(17)20-11-6-13(19-9(3)16)12(5-10(7)11)18-8(2)15/h4-6,8-9,15-16H,1-3H3
InChIKeyGMZDSFRXYJBUHU-UHFFFAOYSA-N
XLogP1.54
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-2-oxo-6-sulfooxychromen-7-yl) hydrogen sulfate
CID 13963
(2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 6924639
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 3681882
4-methyl-6,7-dipropoxychromen-2-one
CID 4914961
6-acetyl-7-methoxy-4-methylchromen-2-one
CID 15290605
(2S)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxy-N-(4-methylphenyl)propanamide
CID 40653349
(6-chloro-4-methyl-2-oxochromen-7-yl) 2-bromoacetate
CID 125495360
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one
CID 21140803
(2R)-N-(4-bromophenyl)-2-(4,7-dimethyl-2-oxochromen-6-yl)oxypropanamide
CID 40653271
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
2-(6-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 794317

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one?
The IUPAC name of 6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one (CID 20526547) is 6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one.
What is the SMILES notation for 6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one?
The canonical SMILES for 6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OC(C)O)c(OC(C)O)cc12.
What is the InChIKey of 6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one?
The InChIKey is GMZDSFRXYJBUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O6/c1-7-4-14(17)20-11-6-13(19-9(3)16)12(5-10(7)11)18-8(2)15/h4-6,8-9,15-16H,1-3H3.
What are the key properties of 6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one?
6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one has a molecular weight of 280.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one is sourced from PubChem (CID 20526547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).