1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one

C19H19NO5 — CID 162859098

IUPAC1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one
SMILESCOc1cc2c(c3c1[nH]c1ccccc13)C(O)C(C(C)(C)O)OC2=O
InChIInChI=1S/C19H19NO5/c1-19(2,23)17-16(21)14-10(18(22)25-17)8-12(24-3)15-13(14)9-6-4-5-7-11(9)20-15/h4-8,16-17,20-21,23H,1-3H3
InChIKeyVHBQOQNKVGCEFS-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.67
Rot. Bonds2

About 1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one

1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one (PubChem CID 162859098) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one.

Molecular Properties

Compound Name1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one
PubChem CID162859098
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one
SMILESCOc1cc2c(c3c1[nH]c1ccccc13)C(O)C(C(C)(C)O)OC2=O
InChIInChI=1S/C19H19NO5/c1-19(2,23)17-16(21)14-10(18(22)25-17)8-12(24-3)15-13(14)9-6-4-5-7-11(9)20-15/h4-8,16-17,20-21,23H,1-3H3
InChIKeyVHBQOQNKVGCEFS-UHFFFAOYSA-N
XLogP2.67
TPSA91.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-13-one
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2,3-dimethoxy-9H-carbazole;terephthalic acid
CID 175513936
5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-1-(1-hydroxy-3,5,6-trimethoxy-9-oxo-10H-acridin-2-yl)-10-methoxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
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methyl 2-[(1,4-dimethyl-9H-carbazol-3-yl)methyl-methylamino]acetate
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13-(3,4-dimethoxybenzoyl)-2-oxa-10,16-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione
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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one?
The IUPAC name of 1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one (CID 162859098) is 1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one.
What is the SMILES notation for 1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one?
The canonical SMILES for 1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one is COc1cc2c(c3c1[nH]c1ccccc13)C(O)C(C(C)(C)O)OC2=O.
What is the InChIKey of 1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one?
The InChIKey is VHBQOQNKVGCEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-19(2,23)17-16(21)14-10(18(22)25-17)8-12(24-3)15-13(14)9-6-4-5-7-11(9)20-15/h4-8,16-17,20-21,23H,1-3H3.
What are the key properties of 1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one?
1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one has a molecular weight of 341.36 g/mol, XLogP of 2.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one is sourced from PubChem (CID 162859098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).