1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]

C26H25NO2 — CID 15339631

IUPAC1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1cc(OCc3ccccc3)ccc1O2
InChIInChI=1S/C26H25NO2/c1-25(2)22-11-7-8-12-23(22)27(3)26(25)16-15-20-17-21(13-14-24(20)29-26)28-18-19-9-5-4-6-10-19/h4-17H,18H2,1-3H3
InChIKeyIMPCEWVZJZRODF-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.80
Rot. Bonds3

About 1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]

1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole] (PubChem CID 15339631) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]
PubChem CID15339631
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1cc(OCc3ccccc3)ccc1O2
InChIInChI=1S/C26H25NO2/c1-25(2)22-11-7-8-12-23(22)27(3)26(25)16-15-20-17-21(13-14-24(20)29-26)28-18-19-9-5-4-6-10-19/h4-17H,18H2,1-3H3
InChIKeyIMPCEWVZJZRODF-UHFFFAOYSA-N
XLogP5.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole] with MolForge

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Related Compounds

2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone
CID 170091928
(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 139060476
ethane;1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 157271788
1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole]
CID 155907395
(Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one
CID 177475501
1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
CID 19083901
(2S)-1',3',3'-trimethyl-7-nitrospiro[chromene-2,2'-indole]
CID 40636806
1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium]
CID 102430118
1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]
CID 19084395
(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
5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
CID 19084092

Frequently Asked Questions

What is the IUPAC name of 1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]?
The IUPAC name of 1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole] (CID 15339631) is 1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole].
What is the SMILES notation for 1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]?
The canonical SMILES for 1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole] is CN1c2ccccc2C(C)(C)C12C=Cc1cc(OCc3ccccc3)ccc1O2.
What is the InChIKey of 1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]?
The InChIKey is IMPCEWVZJZRODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-25(2)22-11-7-8-12-23(22)27(3)26(25)16-15-20-17-21(13-14-24(20)29-26)28-18-19-9-5-4-6-10-19/h4-17H,18H2,1-3H3.
What are the key properties of 1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]?
1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole] has a molecular weight of 383.49 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole] is sourced from PubChem (CID 15339631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).