(2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one

C21H26O6 — CID 163071478

IUPAC(2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILESCOc1c2c(cc3oc(C4(O)CCCCC4)cc(=O)c13)O[C@@H](C(C)(C)O)C2
InChIInChI=1S/C21H26O6/c1-20(2,23)16-9-12-14(26-16)11-15-18(19(12)25-3)13(22)10-17(27-15)21(24)7-5-4-6-8-21/h10-11,16,23-24H,4-9H2,1-3H3/t16-/m1/s1
InChIKeyISBXKXYHZLSGLX-MRXNPFEDSA-N
MW374.43 g/mol
LogP3.03
Rot. Bonds3

About (2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one

(2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one (PubChem CID 163071478) has the molecular formula C21H26O6 and a molecular weight of 374.43 g/mol. Its IUPAC name is (2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name(2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
PubChem CID163071478
Molecular FormulaC21H26O6
Molecular Weight374.43 g/mol
Exact Mass374.17
IUPAC Name(2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILESCOc1c2c(cc3oc(C4(O)CCCCC4)cc(=O)c13)O[C@@H](C(C)(C)O)C2
InChIInChI=1S/C21H26O6/c1-20(2,23)16-9-12-14(26-16)11-15-18(19(12)25-3)13(22)10-17(27-15)21(24)7-5-4-6-8-21/h10-11,16,23-24H,4-9H2,1-3H3/t16-/m1/s1
InChIKeyISBXKXYHZLSGLX-MRXNPFEDSA-N
XLogP3.03
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 5087850
bis((2R)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one);methanol
CID 139074003
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
(2R)-4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 162826084
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-hydroxy-2-(2-hydroxypropan-2-yl)-7-(propoxymethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 10544684
(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-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
(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
2-[2-[4-amino-3-(2-methoxyethyl)phenyl]ethyl]-3,5-dihydroxy-8-(1-hydroxycyclopentyl)-2-methyl-3,4-dihydropyrano[3,2-g]chromen-6-one
CID 163054120
(2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one
CID 163055733
[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

Frequently Asked Questions

What is the IUPAC name of (2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one?
The IUPAC name of (2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one (CID 163071478) is (2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one.
What is the SMILES notation for (2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one?
The canonical SMILES for (2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one is COc1c2c(cc3oc(C4(O)CCCCC4)cc(=O)c13)O[C@@H](C(C)(C)O)C2.
What is the InChIKey of (2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one?
The InChIKey is ISBXKXYHZLSGLX-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26O6/c1-20(2,23)16-9-12-14(26-16)11-15-18(19(12)25-3)13(22)10-17(27-15)21(24)7-5-4-6-8-21/h10-11,16,23-24H,4-9H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one?
(2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one has a molecular weight of 374.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-(1-hydroxycyclohexyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one is sourced from PubChem (CID 163071478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).