(2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol

C18H24ClNO — CID 100994473

IUPAC(2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol
SMILESCCCC[C@@H](O)Cn1c2c(c3cc(Cl)ccc31)CCCC2
InChIInChI=1S/C18H24ClNO/c1-2-3-6-14(21)12-20-17-8-5-4-7-15(17)16-11-13(19)9-10-18(16)20/h9-11,14,21H,2-8,12H2,1H3/t14-/m1/s1
InChIKeyCZUQBFZOMZSQCJ-CQSZACIVSA-N
MW305.85 g/mol
LogP4.72
Rot. Bonds5

About (2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol

(2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol (PubChem CID 100994473) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is (2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol.

Molecular Properties

Compound Name(2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol
PubChem CID100994473
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name(2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol
SMILESCCCC[C@@H](O)Cn1c2c(c3cc(Cl)ccc31)CCCC2
InChIInChI=1S/C18H24ClNO/c1-2-3-6-14(21)12-20-17-8-5-4-7-15(17)16-11-13(19)9-10-18(16)20/h9-11,14,21H,2-8,12H2,1H3/t14-/m1/s1
InChIKeyCZUQBFZOMZSQCJ-CQSZACIVSA-N
XLogP4.72
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol
CID 118011547
diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium
CID 6949865
9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946769
1-(4-benzylpiperazin-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 4525016
1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 4643646
(2R)-1-(4-methylpiperidin-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 961698
[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium
CID 7177141
2-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-1-pyridin-4-ylethanol
CID 59368152
(2R)-1-(4-methylpiperidin-1-ium-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 6957406
(2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 1096351
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 7371788
methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 23938891

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol?
The IUPAC name of (2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol (CID 100994473) is (2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol.
What is the SMILES notation for (2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol?
The canonical SMILES for (2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol is CCCC[C@@H](O)Cn1c2c(c3cc(Cl)ccc31)CCCC2.
What is the InChIKey of (2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol?
The InChIKey is CZUQBFZOMZSQCJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24ClNO/c1-2-3-6-14(21)12-20-17-8-5-4-7-15(17)16-11-13(19)9-10-18(16)20/h9-11,14,21H,2-8,12H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol?
(2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol has a molecular weight of 305.85 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)hexan-2-ol is sourced from PubChem (CID 100994473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).