2-(3-methoxyphenyl)benzo[cd]indol-3-ol

C18H13NO2 — CID 135428171

IUPAC2-(3-methoxyphenyl)benzo[cd]indol-3-ol
SMILESCOc1cccc(C2=Nc3cccc4ccc(O)c2c34)c1
InChIInChI=1S/C18H13NO2/c1-21-13-6-2-5-12(10-13)18-17-15(20)9-8-11-4-3-7-14(19-18)16(11)17/h2-10,20H,1H3
InChIKeyRTVITMBKJUNZCM-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.04
Rot. Bonds2

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

2-(3-methoxyphenyl)benzo[cd]indol-3-ol (PubChem CID 135428171) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)benzo[cd]indol-3-ol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)benzo[cd]indol-3-ol
PubChem CID135428171
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name2-(3-methoxyphenyl)benzo[cd]indol-3-ol
SMILESCOc1cccc(C2=Nc3cccc4ccc(O)c2c34)c1
InChIInChI=1S/C18H13NO2/c1-21-13-6-2-5-12(10-13)18-17-15(20)9-8-11-4-3-7-14(19-18)16(11)17/h2-10,20H,1H3
InChIKeyRTVITMBKJUNZCM-UHFFFAOYSA-N
XLogP4.04
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-7-methylbenzo[cd]indol-3-ol
CID 135481727
2-(3-methoxyphenyl)-1H-perimidine;hydrochloride
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2-(3-methoxyphenyl)benzene-1,4-diol
CID 83534427
4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol
CID 175727272
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
5-methoxy-3-(3-methoxyphenyl)benzene-1,2-diol
CID 67689440
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
5-amino-2-(3-methoxyphenyl)phenol
CID 12067776
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)benzo[cd]indol-3-ol?
The IUPAC name of 2-(3-methoxyphenyl)benzo[cd]indol-3-ol (CID 135428171) is 2-(3-methoxyphenyl)benzo[cd]indol-3-ol.
What is the SMILES notation for 2-(3-methoxyphenyl)benzo[cd]indol-3-ol?
The canonical SMILES for 2-(3-methoxyphenyl)benzo[cd]indol-3-ol is COc1cccc(C2=Nc3cccc4ccc(O)c2c34)c1.
What is the InChIKey of 2-(3-methoxyphenyl)benzo[cd]indol-3-ol?
The InChIKey is RTVITMBKJUNZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-21-13-6-2-5-12(10-13)18-17-15(20)9-8-11-4-3-7-14(19-18)16(11)17/h2-10,20H,1H3.
What are the key properties of 2-(3-methoxyphenyl)benzo[cd]indol-3-ol?
2-(3-methoxyphenyl)benzo[cd]indol-3-ol has a molecular weight of 275.31 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)benzo[cd]indol-3-ol is sourced from PubChem (CID 135428171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).