2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol

C19H17IO3 — CID 163890616

IUPAC2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol
SMILESCOc1cc2c(O)cc3c(c2cc1OC)-c1ccccc1I3C
InChIInChI=1S/C19H17IO3/c1-20-14-7-5-4-6-11(14)19-13-9-18(23-3)17(22-2)8-12(13)16(21)10-15(19)20/h4-10,21H,1-3H3
InChIKeyQBFMGKFEMCXGTF-UHFFFAOYSA-N
MW420.25 g/mol
LogP4.72
Rot. Bonds2

About 2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol

2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol (PubChem CID 163890616) has the molecular formula C19H17IO3 and a molecular weight of 420.25 g/mol. Its IUPAC name is 2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol.

Molecular Properties

Compound Name2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol
PubChem CID163890616
Molecular FormulaC19H17IO3
Molecular Weight420.25 g/mol
Exact Mass420.02
IUPAC Name2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol
SMILESCOc1cc2c(O)cc3c(c2cc1OC)-c1ccccc1I3C
InChIInChI=1S/C19H17IO3/c1-20-14-7-5-4-6-11(14)19-13-9-18(23-3)17(22-2)8-12(13)16(21)10-15(19)20/h4-10,21H,1-3H3
InChIKeyQBFMGKFEMCXGTF-UHFFFAOYSA-N
XLogP4.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.25
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol
CID 170317987
5-hydroxy-2,3-dimethoxy-7H-benzo[c]fluorene-7-carbaldehyde
CID 175005782
2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol
CID 67228250
2,3-dimethoxy-9,10-diphenylphenanthrene
CID 86084534
2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol
CID 161242797
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
9,10-dimethoxyisoquinolino[2,1-a]quinolin-5-ium-7-ol bromide
CID 53343548
azane;2-methoxyphenol
CID 172717837
2-fluoro-4-(2-methoxyphenyl)phenol
CID 53219298
3-methoxy-2-(2-methylphenyl)phenol
CID 122691974
2,3-dimethoxy-5-phenylphenol
CID 135042969
8-methoxy-3-methyl-4-phenylnaphthalen-1-ol
CID 101420154

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol?
The IUPAC name of 2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol (CID 163890616) is 2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol.
What is the SMILES notation for 2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol?
The canonical SMILES for 2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol is COc1cc2c(O)cc3c(c2cc1OC)-c1ccccc1I3C.
What is the InChIKey of 2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol?
The InChIKey is QBFMGKFEMCXGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IO3/c1-20-14-7-5-4-6-11(14)19-13-9-18(23-3)17(22-2)8-12(13)16(21)10-15(19)20/h4-10,21H,1-3H3.
What are the key properties of 2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol?
2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol has a molecular weight of 420.25 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-7-methylnaphtho[2,1-b][1]benziodol-5-ol is sourced from PubChem (CID 163890616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).