(1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

C17H14ClNO — CID 132967000

IUPAC(1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
SMILESClc1ccc2[nH]c3c(c2c1)CCO[C@@H]3c1ccccc1
InChIInChI=1S/C17H14ClNO/c18-12-6-7-15-14(10-12)13-8-9-20-17(16(13)19-15)11-4-2-1-3-5-11/h1-7,10,17,19H,8-9H2/t17-/m1/s1
InChIKeyJSJAHEJKNOVVRM-QGZVFWFLSA-N
MW283.76 g/mol
LogP4.48
Rot. Bonds1

About (1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

(1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole (PubChem CID 132967000) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is (1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole.

Molecular Properties

Compound Name(1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
PubChem CID132967000
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name(1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
SMILESClc1ccc2[nH]c3c(c2c1)CCO[C@@H]3c1ccccc1
InChIInChI=1S/C17H14ClNO/c18-12-6-7-15-14(10-12)13-8-9-20-17(16(13)19-15)11-4-2-1-3-5-11/h1-7,10,17,19H,8-9H2/t17-/m1/s1
InChIKeyJSJAHEJKNOVVRM-QGZVFWFLSA-N
XLogP4.48
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 171356189
6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3677590
6-chloro-1-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3677568
6-chloro-1-(2-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3549735
6-chloro-1-(3,5-dimethylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3915383
6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 66911739
6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 15633401
6-chloro-1-(4-methoxyphenyl)-2-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 171346230
4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;hydrochloride
CID 162645384
6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 162662308
6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole
CID 90770100
4-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]benzene-1,2-diol
CID 92727171

Frequently Asked Questions

What is the IUPAC name of (1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The IUPAC name of (1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole (CID 132967000) is (1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole.
What is the SMILES notation for (1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The canonical SMILES for (1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole is Clc1ccc2[nH]c3c(c2c1)CCO[C@@H]3c1ccccc1.
What is the InChIKey of (1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The InChIKey is JSJAHEJKNOVVRM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14ClNO/c18-12-6-7-15-14(10-12)13-8-9-20-17(16(13)19-15)11-4-2-1-3-5-11/h1-7,10,17,19H,8-9H2/t17-/m1/s1.
What are the key properties of (1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
(1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole has a molecular weight of 283.76 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-chloro-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole is sourced from PubChem (CID 132967000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).