5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]

C19H17Cl2NO — CID 19084202

IUPAC5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCN1c2ccc(Cl)cc2C(C)(C)C12C=Cc1cc(Cl)ccc1O2
InChIInChI=1S/C19H17Cl2NO/c1-18(2)15-11-14(21)4-6-16(15)22(3)19(18)9-8-12-10-13(20)5-7-17(12)23-19/h4-11H,1-3H3
InChIKeyLBZNVUYLTMIJQK-UHFFFAOYSA-N
MW346.26 g/mol
LogP5.52
Rot. Bonds

About 5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]

5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] (PubChem CID 19084202) has the molecular formula C19H17Cl2NO and a molecular weight of 346.26 g/mol. Its IUPAC name is 5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
PubChem CID19084202
Molecular FormulaC19H17Cl2NO
Molecular Weight346.26 g/mol
Exact Mass345.07
IUPAC Name5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCN1c2ccc(Cl)cc2C(C)(C)C12C=Cc1cc(Cl)ccc1O2
InChIInChI=1S/C19H17Cl2NO/c1-18(2)15-11-14(21)4-6-16(15)22(3)19(18)9-8-12-10-13(20)5-7-17(12)23-19/h4-11H,1-3H3
InChIKeyLBZNVUYLTMIJQK-UHFFFAOYSA-N
XLogP5.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3-Trimethylindolinobenzospiropyran
CID 99764
6-Chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one
CID 2161858
6-Methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indoline]
CID 2829390
5'-Chloro-1',3',3'-trimethyl-6-nitro-spiro[chromene-2,2'-indoline]
CID 3007721
5'-Chloro-1',3',3'-trimethyl-spiro[benzo[f]chromene-3,2'-indoline]
CID 3007724
5'-Chloro-7-methoxy-1',3',3'-trimethyl-spiro[chromene-2,2'-indoline]
CID 3007723
(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]
CID 826554
1,3,3-Trimethyl-6'-chlorospiro[indoline-2,2'-2h-chromene]
CID 10041176
6,8-Dichloro-1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole]
CID 3124836
5'-Chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
CID 19083851
8-Fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
CID 19083879
5'-Chloro-8-fluoro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 19084194

Frequently Asked Questions

What is the IUPAC name of 5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The IUPAC name of 5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] (CID 19084202) is 5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole].
What is the SMILES notation for 5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The canonical SMILES for 5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] is CN1c2ccc(Cl)cc2C(C)(C)C12C=Cc1cc(Cl)ccc1O2.
What is the InChIKey of 5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The InChIKey is LBZNVUYLTMIJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO/c1-18(2)15-11-14(21)4-6-16(15)22(3)19(18)9-8-12-10-13(20)5-7-17(12)23-19/h4-11H,1-3H3.
What are the key properties of 5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] has a molecular weight of 346.26 g/mol, XLogP of 5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5',6-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 19084202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).