4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]

C25H25NO3 — CID 19084237

IUPAC4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
SMILESCOc1ccc(OC)c2c1N(C)C1(C=Cc3c(ccc4ccccc34)O1)C2(C)C
InChIInChI=1S/C25H25NO3/c1-24(2)22-20(27-4)12-13-21(28-5)23(22)26(3)25(24)15-14-18-17-9-7-6-8-16(17)10-11-19(18)29-25/h6-15H,1-5H3
InChIKeyXQVPRUIVNQAAAO-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.39
Rot. Bonds2

About 4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]

4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] (PubChem CID 19084237) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole].

Molecular Properties

Compound Name4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
PubChem CID19084237
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
SMILESCOc1ccc(OC)c2c1N(C)C1(C=Cc3c(ccc4ccccc34)O1)C2(C)C
InChIInChI=1S/C25H25NO3/c1-24(2)22-20(27-4)12-13-21(28-5)23(22)26(3)25(24)15-14-18-17-9-7-6-8-16(17)10-11-19(18)29-25/h6-15H,1-5H3
InChIKeyXQVPRUIVNQAAAO-UHFFFAOYSA-N
XLogP5.39
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxy-1,3,3-trimethylspiro(indoline-2,3'-(3H)naphtho(2,1-b)pyran)
CID 4418670
1',3',3'-Trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
CID 19083901
1,3,3-Trimethylindolino-beta-naphthopyrylospiran
CID 2728827
5'-Methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
CID 162658215
1',3',3'-Trimethylspiro[benzo[g]chromene-2,2'-indole]
CID 2853337
1,3,3-Trimethylspiro[indoline-2,3'-[3H]-naphtho[2,1-b]pyran]
CID 1897521
5'-Methoxy-1',3',3'-trimethyl-6-morpholin-4-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 14228340
5'-Methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 20131746
2-Ethoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 91425625
5',6'-Dimethoxy-1',3',3',9-tetramethyl-8-(trifluoromethyl)spiro[benzo[f]chromene-3,2'-indole]
CID 58596608
1-[3-(2-Fluoro-4-methoxyphenyl)-3-methylbenzo[f]chromen-6-yl]pyrrolidine
CID 139813739
[6-[Ethyl(propyl)amino]-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-yl] hypofluorite
CID 144690679

Frequently Asked Questions

What is the IUPAC name of 4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The IUPAC name of 4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] (CID 19084237) is 4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole].
What is the SMILES notation for 4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The canonical SMILES for 4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] is COc1ccc(OC)c2c1N(C)C1(C=Cc3c(ccc4ccccc34)O1)C2(C)C.
What is the InChIKey of 4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
The InChIKey is XQVPRUIVNQAAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-24(2)22-20(27-4)12-13-21(28-5)23(22)26(3)25(24)15-14-18-17-9-7-6-8-16(17)10-11-19(18)29-25/h6-15H,1-5H3.
What are the key properties of 4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]?
4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] has a molecular weight of 387.48 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4',7'-dimethoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] is sourced from PubChem (CID 19084237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).