2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole

C16H19NO — CID 71159877

IUPAC2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole
SMILESCC1(C)c2cc3ccccc3cc2C(C)(C)N1O
InChIInChI=1S/C16H19NO/c1-15(2)13-9-11-7-5-6-8-12(11)10-14(13)16(3,4)17(15)18/h5-10,18H,1-4H3
InChIKeyBCTSPZCBVFLFJV-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.01
Rot. Bonds

About 2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole

2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole (PubChem CID 71159877) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole.

Molecular Properties

Compound Name2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole
PubChem CID71159877
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole
SMILESCC1(C)c2cc3ccccc3cc2C(C)(C)N1O
InChIInChI=1S/C16H19NO/c1-15(2)13-9-11-7-5-6-8-12(11)10-14(13)16(3,4)17(15)18/h5-10,18H,1-4H3
InChIKeyBCTSPZCBVFLFJV-UHFFFAOYSA-N
XLogP4.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole-6-carboxylic acid
CID 71160053
2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole
CID 143568383
CID 71159875
CID 71159875
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole
CID 89323588
ethane;1-ethyl-2-hydroxy-1,3,3-trimethylisoindole
CID 143128028
2-hydroxy-1,3,3-trimethyl-1H-isoindole
CID 67547990
16,16-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene
CID 59742000
anthracene;ethane;naphthalene
CID 159079166
ethane;pentacene
CID 91470616
3,3-dimethylbenzo[f][2]benzofuran-1-thione
CID 10421315

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole?
The IUPAC name of 2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole (CID 71159877) is 2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole.
What is the SMILES notation for 2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole?
The canonical SMILES for 2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole is CC1(C)c2cc3ccccc3cc2C(C)(C)N1O.
What is the InChIKey of 2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole?
The InChIKey is BCTSPZCBVFLFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-15(2)13-9-11-7-5-6-8-12(11)10-14(13)16(3,4)17(15)18/h5-10,18H,1-4H3.
What are the key properties of 2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole?
2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole has a molecular weight of 241.33 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole is sourced from PubChem (CID 71159877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).