5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]

C23H20ClNO — CID 3007724

IUPAC5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
SMILESCN1c2ccc(Cl)cc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C23H20ClNO/c1-22(2)19-14-16(24)9-10-20(19)25(3)23(22)13-12-18-17-7-5-4-6-15(17)8-11-21(18)26-23/h4-14H,1-3H3
InChIKeyLPHJVWLQTPUTDM-UHFFFAOYSA-N
MW361.87 g/mol
LogP6.02
Rot. Bonds

About 5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]

5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] (PubChem CID 3007724) has the molecular formula C23H20ClNO and a molecular weight of 361.87 g/mol. Its IUPAC name is 5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole].

Molecular Properties

Compound Name5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
PubChem CID3007724
Molecular FormulaC23H20ClNO
Molecular Weight361.87 g/mol
Exact Mass361.12
IUPAC Name5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
SMILESCN1c2ccc(Cl)cc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C23H20ClNO/c1-22(2)19-14-16(24)9-10-20(19)25(3)23(22)13-12-18-17-7-5-4-6-15(17)8-11-21(18)26-23/h4-14H,1-3H3
InChIKeyLPHJVWLQTPUTDM-UHFFFAOYSA-N
XLogP6.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.87
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The IUPAC name of 5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] (CID 3007724) is 5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole].
What is the SMILES notation for 5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The canonical SMILES for 5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] is CN1c2ccc(Cl)cc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2.
What is the InChIKey of 5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The InChIKey is LPHJVWLQTPUTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO/c1-22(2)19-14-16(24)9-10-20(19)25(3)23(22)13-12-18-17-7-5-4-6-15(17)8-11-21(18)26-23/h4-14H,1-3H3.
What are the key properties of 5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] has a molecular weight of 361.87 g/mol, XLogP of 6.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] is sourced from PubChem (CID 3007724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).