(3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol

C13H13BrO3 — CID 10518090

IUPAC(3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol
SMILESCOc1c(Br)c(CO)c(OC)c2ccccc12
InChIInChI=1S/C13H13BrO3/c1-16-12-8-5-3-4-6-9(8)13(17-2)11(14)10(12)7-15/h3-6,15H,7H2,1-2H3
InChIKeyGJZOYDSVBUMZOV-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.11
Rot. Bonds3

About (3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol

(3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol (PubChem CID 10518090) has the molecular formula C13H13BrO3 and a molecular weight of 297.15 g/mol. Its IUPAC name is (3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol
PubChem CID10518090
Molecular FormulaC13H13BrO3
Molecular Weight297.15 g/mol
Exact Mass296.00
IUPAC Name(3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol
SMILESCOc1c(Br)c(CO)c(OC)c2ccccc12
InChIInChI=1S/C13H13BrO3/c1-16-12-8-5-3-4-6-9(8)13(17-2)11(14)10(12)7-15/h3-6,15H,7H2,1-2H3
InChIKeyGJZOYDSVBUMZOV-UHFFFAOYSA-N
XLogP3.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol?
The IUPAC name of (3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol (CID 10518090) is (3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol.
What is the SMILES notation for (3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol?
The canonical SMILES for (3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol is COc1c(Br)c(CO)c(OC)c2ccccc12.
What is the InChIKey of (3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol?
The InChIKey is GJZOYDSVBUMZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO3/c1-16-12-8-5-3-4-6-9(8)13(17-2)11(14)10(12)7-15/h3-6,15H,7H2,1-2H3.
What are the key properties of (3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol?
(3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol has a molecular weight of 297.15 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol is sourced from PubChem (CID 10518090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).