8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one

C22H23NO3 — CID 160848128

IUPAC8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one
SMILESCc1ccc2c3c([nH]c2c1)C(C)(C)c1cc([C@H](O)CO)c(C)cc1C3=O
InChIInChI=1S/C22H23NO3/c1-11-5-6-13-17(7-11)23-21-19(13)20(26)15-8-12(2)14(18(25)10-24)9-16(15)22(21,3)4/h5-9,18,23-25H,10H2,1-4H3/t18-/m1/s1
InChIKeyFEBXUEBDHOZFQO-GOSISDBHSA-N
MW349.43 g/mol
LogP3.68
Rot. Bonds2

About 8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one

8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one (PubChem CID 160848128) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one
PubChem CID160848128
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one
SMILESCc1ccc2c3c([nH]c2c1)C(C)(C)c1cc([C@H](O)CO)c(C)cc1C3=O
InChIInChI=1S/C22H23NO3/c1-11-5-6-13-17(7-11)23-21-19(13)20(26)15-8-12(2)14(18(25)10-24)9-16(15)22(21,3)4/h5-9,18,23-25H,10H2,1-4H3/t18-/m1/s1
InChIKeyFEBXUEBDHOZFQO-GOSISDBHSA-N
XLogP3.68
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one with MolForge

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Related Compounds

8-[(2R)-2,3-dihydroxypropoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66833887
8-[(2R)-2,3-dihydroxypropoxy]-6,6-dimethyl-3-sulfanyl-5H-benzo[b]carbazol-11-one
CID 118670145
8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one
CID 167193452
3-amino-8-(2,3-dihydroxypropylsulfanyl)-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 67150011
3-bromo-9-ethyl-8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 166070496
3-cyano-N-(1,3-dihydroxypropan-2-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
CID 66834824
9-ethyl-3,6,6-trimethyl-8-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-5H-benzo[b]carbazol-11-one
CID 167699885
9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile
CID 135211199
2-(3-cyano-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-9-yl)propanoic acid
CID 142767141
9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 134375939
9-ethyl-3-ethynyl-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 175807889
8-[(2S)-2,3-dihydroxypropoxy]-6,6-dimethyl-3-thiophen-2-yl-5H-benzo[b]carbazol-11-one
CID 66835002

Frequently Asked Questions

What is the IUPAC name of 8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one?
The IUPAC name of 8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one (CID 160848128) is 8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one is Cc1ccc2c3c([nH]c2c1)C(C)(C)c1cc([C@H](O)CO)c(C)cc1C3=O.
What is the InChIKey of 8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one?
The InChIKey is FEBXUEBDHOZFQO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23NO3/c1-11-5-6-13-17(7-11)23-21-19(13)20(26)15-8-12(2)14(18(25)10-24)9-16(15)22(21,3)4/h5-9,18,23-25H,10H2,1-4H3/t18-/m1/s1.
What are the key properties of 8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one?
8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one has a molecular weight of 349.43 g/mol, XLogP of 3.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S)-1,2-dihydroxyethyl]-3,6,6,9-tetramethyl-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 160848128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).