2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol

C19H15NO2 — CID 135481727

IUPAC2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol
SMILESCOc1cccc(C2=Nc3cc(C)cc4ccc(O)c2c34)c1
InChIInChI=1S/C19H15NO2/c1-11-8-12-6-7-16(21)18-17(12)15(9-11)20-19(18)13-4-3-5-14(10-13)22-2/h3-10,21H,1-2H3
InChIKeyNTETVGVDTIKEGQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.34
Rot. Bonds2

About 2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol

2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol (PubChem CID 135481727) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol
PubChem CID135481727
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol
SMILESCOc1cccc(C2=Nc3cc(C)cc4ccc(O)c2c34)c1
InChIInChI=1S/C19H15NO2/c1-11-8-12-6-7-16(21)18-17(12)15(9-11)20-19(18)13-4-3-5-14(10-13)22-2/h3-10,21H,1-2H3
InChIKeyNTETVGVDTIKEGQ-UHFFFAOYSA-N
XLogP4.34
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)benzo[cd]indol-3-ol
CID 135428171
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
3-(3-methoxyphenyl)-5-methylphenol
CID 53218837
2-(3-methoxyphenyl)benzene-1,4-diol
CID 83534427
4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol
CID 175727272
5-(3-methoxyphenyl)-2-methylphenol
CID 53218836
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol
CID 67689440
1-(3-methoxyphenyl)-7-methylnaphthalene
CID 59399527

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol?
The IUPAC name of 2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol (CID 135481727) is 2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol.
What is the SMILES notation for 2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol?
The canonical SMILES for 2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol is COc1cccc(C2=Nc3cc(C)cc4ccc(O)c2c34)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol?
The InChIKey is NTETVGVDTIKEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-11-8-12-6-7-16(21)18-17(12)15(9-11)20-19(18)13-4-3-5-14(10-13)22-2/h3-10,21H,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol?
2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol has a molecular weight of 289.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol is sourced from PubChem (CID 135481727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).