1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol

C23H21NO2 — CID 19083901

IUPAC1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3ccc(O)cc13)O2
InChIInChI=1S/C23H21NO2/c1-22(2)19-6-4-5-7-20(19)24(3)23(22)13-12-17-18-14-16(25)10-8-15(18)9-11-21(17)26-23/h4-14,25H,1-3H3
InChIKeyZGKZSQCVTXPQLG-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.07
Rot. Bonds

About 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol

1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol (PubChem CID 19083901) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol.

Molecular Properties

Compound Name1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
PubChem CID19083901
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3ccc(O)cc13)O2
InChIInChI=1S/C23H21NO2/c1-22(2)19-6-4-5-7-20(19)24(3)23(22)13-12-17-18-14-16(25)10-8-15(18)9-11-21(17)26-23/h4-14,25H,1-3H3
InChIKeyZGKZSQCVTXPQLG-UHFFFAOYSA-N
XLogP5.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]
CID 19084395
1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]
CID 3740164
(3R)-5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
CID 6581587
5,7-dichloro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
CID 19084092
1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-c]quinoline]
CID 19084178
1',3',3'-trimethyl-6-phenylmethoxyspiro[chromene-2,2'-indole]
CID 15339631
(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 139060476
N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine
CID 3952387
ethane;1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 157271788
2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone
CID 170091928
1,3,3,5'-tetramethylspiro[indole-2,2'-pyrano[3,2-b]pyridin-5-ium]
CID 102430118
2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)nonadecanoic acid
CID 71216292

Frequently Asked Questions

What is the IUPAC name of 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol?
The IUPAC name of 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol (CID 19083901) is 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol.
What is the SMILES notation for 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol?
The canonical SMILES for 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol is CN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3ccc(O)cc13)O2.
What is the InChIKey of 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol?
The InChIKey is ZGKZSQCVTXPQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-22(2)19-6-4-5-7-20(19)24(3)23(22)13-12-17-18-14-16(25)10-8-15(18)9-11-21(17)26-23/h4-14,25H,1-3H3.
What are the key properties of 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol?
1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol has a molecular weight of 343.43 g/mol, XLogP of 5.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol is sourced from PubChem (CID 19083901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).