[(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol

C16H22O3 — CID 143114036

IUPAC[(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol
SMILESCOc1cc(CO)cc2c1O[C@]1(C)CCCCC1C2
InChIInChI=1S/C16H22O3/c1-16-6-4-3-5-13(16)9-12-7-11(10-17)8-14(18-2)15(12)19-16/h7-8,13,17H,3-6,9-10H2,1-2H3/t13?,16-/m1/s1
InChIKeyIKEULKJQWUPVEH-FQNRMIAFSA-N
MW262.35 g/mol
LogP3.07
Rot. Bonds2

About [(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol

[(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol (PubChem CID 143114036) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is [(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol.

Molecular Properties

Compound Name[(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol
PubChem CID143114036
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name[(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol
SMILESCOc1cc(CO)cc2c1O[C@]1(C)CCCCC1C2
InChIInChI=1S/C16H22O3/c1-16-6-4-3-5-13(16)9-12-7-11(10-17)8-14(18-2)15(12)19-16/h7-8,13,17H,3-6,9-10H2,1-2H3/t13?,16-/m1/s1
InChIKeyIKEULKJQWUPVEH-FQNRMIAFSA-N
XLogP3.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol with MolForge

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Related Compounds

5-[(E)-2-(7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl)ethenyl]benzene-1,3-diol
CID 67268706
(5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
CID 10376736
[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 65458991
6-[(E)-2-[(7R,8aR,10aR)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl]ethenyl]-1H-indol-4-ol
CID 90670091
6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
CID 139777702
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380
2,2-diethyl-6-(hydroxymethyl)-8-methoxy-4H-1,4-benzoxazin-3-one
CID 82154072
6-[(E)-2-[(7R,8aR,10aR)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl]ethenyl]-3-(3-methylbutyl)-1H-indol-4-ol
CID 131969939
(2R,4aR,9aR)-7-[(E)-2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-1H-indol-6-yl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthen-2-ol
CID 90670094
[4-(hydroxymethyl)-2,6-dimethoxyphenyl]boronic acid
CID 54470355
2-[6-(hydroxymethyl)-8-methoxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetonitrile
CID 82155677

Frequently Asked Questions

What is the IUPAC name of [(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol?
The IUPAC name of [(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol (CID 143114036) is [(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol.
What is the SMILES notation for [(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol?
The canonical SMILES for [(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol is COc1cc(CO)cc2c1O[C@]1(C)CCCCC1C2.
What is the InChIKey of [(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol?
The InChIKey is IKEULKJQWUPVEH-FQNRMIAFSA-N. The full InChI is InChI=1S/C16H22O3/c1-16-6-4-3-5-13(16)9-12-7-11(10-17)8-14(18-2)15(12)19-16/h7-8,13,17H,3-6,9-10H2,1-2H3/t13?,16-/m1/s1.
What are the key properties of [(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol?
[(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol has a molecular weight of 262.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(10aR)-4-methoxy-10a-methyl-5,6,7,8,8a,9-hexahydroxanthen-2-yl]methanol is sourced from PubChem (CID 143114036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).