3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol

C18H15BrO3 — CID 134955568

IUPAC3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol
SMILESCOc1cc(C)cc(-c2c(O)c(Br)cc3ccccc23)c1O
InChIInChI=1S/C18H15BrO3/c1-10-7-13(17(20)15(8-10)22-2)16-12-6-4-3-5-11(12)9-14(19)18(16)21/h3-9,20-21H,1-2H3
InChIKeyIDCNXVAGUUYMDK-UHFFFAOYSA-N
MW359.22 g/mol
LogP5.00
Rot. Bonds2

About 3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol

3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol (PubChem CID 134955568) has the molecular formula C18H15BrO3 and a molecular weight of 359.22 g/mol. Its IUPAC name is 3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol
PubChem CID134955568
Molecular FormulaC18H15BrO3
Molecular Weight359.22 g/mol
Exact Mass358.02
IUPAC Name3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol
SMILESCOc1cc(C)cc(-c2c(O)c(Br)cc3ccccc23)c1O
InChIInChI=1S/C18H15BrO3/c1-10-7-13(17(20)15(8-10)22-2)16-12-6-4-3-5-11(12)9-14(19)18(16)21/h3-9,20-21H,1-2H3
InChIKeyIDCNXVAGUUYMDK-UHFFFAOYSA-N
XLogP5.00
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol
CID 71141860
3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol
CID 159220371
6-bromo-7-methoxybenzo[7]annulen-9-one
CID 121011768
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327
1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol
CID 158265528
3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 11342498
3-bromo-2-methoxy-1-methylnaphthalene
CID 97036456
1-(3-bromo-2-methoxy-5-methylphenyl)naphthalene
CID 70824609
3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol
CID 66557323
6-[10-(3-methoxynaphthalen-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163532535
4-methoxy-2-methylphenanthrene
CID 11775729
1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene
CID 165084325

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol?
The IUPAC name of 3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol (CID 134955568) is 3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol.
What is the SMILES notation for 3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol?
The canonical SMILES for 3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol is COc1cc(C)cc(-c2c(O)c(Br)cc3ccccc23)c1O.
What is the InChIKey of 3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol?
The InChIKey is IDCNXVAGUUYMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO3/c1-10-7-13(17(20)15(8-10)22-2)16-12-6-4-3-5-11(12)9-14(19)18(16)21/h3-9,20-21H,1-2H3.
What are the key properties of 3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol?
3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol has a molecular weight of 359.22 g/mol, XLogP of 5.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol is sourced from PubChem (CID 134955568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).