(2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]

C19H17BrClNO — CID 139206872

IUPAC(2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc(Cl)cc(Br)c1O2
InChIInChI=1S/C19H17BrClNO/c1-18(2)14-6-4-5-7-16(14)22(3)19(18)9-8-12-10-13(21)11-15(20)17(12)23-19/h4-11H,1-3H3/t19-/m0/s1
InChIKeyLQMKNVOSTMDFCD-IBGZPJMESA-N
MW390.71 g/mol
LogP5.63
Rot. Bonds

About (2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]

(2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] (PubChem CID 139206872) has the molecular formula C19H17BrClNO and a molecular weight of 390.71 g/mol. Its IUPAC name is (2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name(2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
PubChem CID139206872
Molecular FormulaC19H17BrClNO
Molecular Weight390.71 g/mol
Exact Mass389.02
IUPAC Name(2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc(Cl)cc(Br)c1O2
InChIInChI=1S/C19H17BrClNO/c1-18(2)14-6-4-5-7-16(14)22(3)19(18)9-8-12-10-13(21)11-15(20)17(12)23-19/h4-11H,1-3H3/t19-/m0/s1
InChIKeyLQMKNVOSTMDFCD-IBGZPJMESA-N
XLogP5.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.71
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 6999379
8-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 5182854
5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
CID 19084092
(2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]
CID 1100892
6-[4-(4-chlorophenyl)-2,6-diphenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole]
CID 11125649
1-(6-tert-butyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-8-yl)-N,N-dimethylmethanamine
CID 101403945
8-(iodomethyl)-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 11259752
1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
CID 59095537
6-[2,6-bis(4-bromophenyl)-4-phenylpyridin-1-ium-1-yl]-1',3',3'-trimethyl-8-phenylspiro[chromene-2,2'-indole]
CID 11147357
1',3',3'-trimethyl-8-phenyl-6-(2,4,6-triphenylpyridin-1-ium-1-yl)spiro[chromene-2,2'-indole] perchlorate
CID 11828760
(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 139060476
N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine
CID 3952387

Frequently Asked Questions

What is the IUPAC name of (2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The IUPAC name of (2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] (CID 139206872) is (2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole].
What is the SMILES notation for (2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The canonical SMILES for (2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] is CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc(Cl)cc(Br)c1O2.
What is the InChIKey of (2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The InChIKey is LQMKNVOSTMDFCD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17BrClNO/c1-18(2)14-6-4-5-7-16(14)22(3)19(18)9-8-12-10-13(21)11-15(20)17(12)23-19/h4-11H,1-3H3/t19-/m0/s1.
What are the key properties of (2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
(2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] has a molecular weight of 390.71 g/mol, XLogP of 5.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-bromo-6-chloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 139206872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).