1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole]

C25H22ClNO — CID 155907395

IUPAC1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole]
SMILESCC1(C)c2ccccc2N(Cc2ccccc2)C12C=Cc1cc(Cl)ccc1O2
InChIInChI=1S/C25H22ClNO/c1-24(2)21-10-6-7-11-22(21)27(17-18-8-4-3-5-9-18)25(24)15-14-19-16-20(26)12-13-23(19)28-25/h3-16H,17H2,1-2H3
InChIKeyUZMYQWRTGVUXMM-UHFFFAOYSA-N
MW387.91 g/mol
LogP6.44
Rot. Bonds2

About 1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole]

1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole] (PubChem CID 155907395) has the molecular formula C25H22ClNO and a molecular weight of 387.91 g/mol. Its IUPAC name is 1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole]
PubChem CID155907395
Molecular FormulaC25H22ClNO
Molecular Weight387.91 g/mol
Exact Mass387.14
IUPAC Name1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole]
SMILESCC1(C)c2ccccc2N(Cc2ccccc2)C12C=Cc1cc(Cl)ccc1O2
InChIInChI=1S/C25H22ClNO/c1-24(2)21-10-6-7-11-22(21)27(17-18-8-4-3-5-9-18)25(24)15-14-19-16-20(26)12-13-23(19)28-25/h3-16H,17H2,1-2H3
InChIKeyUZMYQWRTGVUXMM-UHFFFAOYSA-N
XLogP6.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.91
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1'-benzyl-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl)-phenylmethanone
CID 165164633
2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol
CID 1100889
6-(3',3',6-trimethylspiro[chromene-2,2'-indole]-1'-yl)hexanoic acid
CID 18684288
1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]
CID 15339631
5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid
CID 89247321
2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone
CID 170091928
3',3'-dimethyl-6-nitro-1'-prop-2-ynylspiro[chromene-2,2'-indole]
CID 102433038
1'-[(4-fluorophenyl)methyl]-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-amine
CID 143659969
(2S)-1'-dodecyl-N-hydroxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-amine oxide
CID 163125736
1'-[[3,5-bis[(3',3'-dimethyl-8-methylsulfanyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethyl-8-methylsulfanyl-6-nitrospiro[chromene-2,2'-indole]
CID 89044565
1'-[(4-fluorophenyl)methyl]-6-iodo-8-methoxy-3',3'-dimethylspiro[chromene-2,2'-indole]
CID 71083191
ethyl 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetate
CID 58298819

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole]?
The IUPAC name of 1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole] (CID 155907395) is 1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole].
What is the SMILES notation for 1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole]?
The canonical SMILES for 1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole] is CC1(C)c2ccccc2N(Cc2ccccc2)C12C=Cc1cc(Cl)ccc1O2.
What is the InChIKey of 1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole]?
The InChIKey is UZMYQWRTGVUXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO/c1-24(2)21-10-6-7-11-22(21)27(17-18-8-4-3-5-9-18)25(24)15-14-19-16-20(26)12-13-23(19)28-25/h3-16H,17H2,1-2H3.
What are the key properties of 1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole]?
1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole] has a molecular weight of 387.91 g/mol, XLogP of 6.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 155907395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).