7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one

C16H18O6 — CID 5087850

IUPAC7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILESCOc1c2c(cc3oc(CO)cc(=O)c13)OC(C(C)(C)O)C2
InChIInChI=1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3
InChIKeyATDBDSBKYKMRGZ-UHFFFAOYSA-N
MW306.31 g/mol
LogP1.37
Rot. Bonds3

About 7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one

7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one (PubChem CID 5087850) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is 7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
PubChem CID5087850
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Name7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILESCOc1c2c(cc3oc(CO)cc(=O)c13)OC(C(C)(C)O)C2
InChIInChI=1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3
InChIKeyATDBDSBKYKMRGZ-UHFFFAOYSA-N
XLogP1.37
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

bis((2R)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one);methanol
CID 139074003
(2R)-4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 162826084
(2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 163071478
2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine
CID 162793500
(2S)-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 162808752
4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 10544684
4-methoxy-7-methyl-2-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 176520026
4-methoxy-7-methyl-2-[2-(2,3,4,5,6-pentahydroxyhexylperoxy)propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 163027014
[4-hydroxy-2-(2-hydroxypropan-2-yl)-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]methyl 2-(4-chlorophenyl)acetate
CID 10765724
(2S)-4,8-dihydroxy-2-(2-hydroxypropan-2-yl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]xanthen-5-one
CID 162957066
(2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 163064844
4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 162802262

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one?
The IUPAC name of 7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one (CID 5087850) is 7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one.
What is the SMILES notation for 7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one?
The canonical SMILES for 7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one is COc1c2c(cc3oc(CO)cc(=O)c13)OC(C(C)(C)O)C2.
What is the InChIKey of 7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one?
The InChIKey is ATDBDSBKYKMRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3.
What are the key properties of 7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one?
7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one has a molecular weight of 306.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one is sourced from PubChem (CID 5087850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).