6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol

C24H22Br2O3 — CID 70197174

IUPAC6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol
SMILESCOc1ccc2cc(Br)ccc2c1C.COc1ccc2cc(Br)ccc2c1CO
InChIInChI=1S/C12H11BrO2.C12H11BrO/c1-15-12-5-2-8-6-9(13)3-4-10(8)11(12)7-14;1-8-11-5-4-10(13)7-9(11)3-6-12(8)14-2/h2-6,14H,7H2,1H3;3-7H,1-2H3
InChIKeyFSBANRFOYLSPEZ-UHFFFAOYSA-N
MW518.25 g/mol
LogP7.02
Rot. Bonds3

About 6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol

6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol (PubChem CID 70197174) has the molecular formula C24H22Br2O3 and a molecular weight of 518.25 g/mol. Its IUPAC name is 6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol.

Molecular Properties

Compound Name6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol
PubChem CID70197174
Molecular FormulaC24H22Br2O3
Molecular Weight518.25 g/mol
Exact Mass515.99
IUPAC Name6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol
SMILESCOc1ccc2cc(Br)ccc2c1C.COc1ccc2cc(Br)ccc2c1CO
InChIInChI=1S/C12H11BrO2.C12H11BrO/c1-15-12-5-2-8-6-9(13)3-4-10(8)11(12)7-14;1-8-11-5-4-10(13)7-9(11)3-6-12(8)14-2/h2-6,14H,7H2,1H3;3-7H,1-2H3
InChIKeyFSBANRFOYLSPEZ-UHFFFAOYSA-N
XLogP7.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.25
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide
CID 1034200
(2-methoxyanthracen-1-yl)methanol
CID 102344428
6-bromo-2-methoxynaphthalen-1-amine
CID 54370275
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
CID 4729799
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 2234260
naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate
CID 4864831
5-[(6-bromo-2-methoxynaphthalen-1-yl)methylamino]-5-oxopentanoic acid
CID 3484079
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide
CID 4729727
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-chlorophenyl)acetamide
CID 4729726
N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide
CID 3480217
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 4729780

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol?
The IUPAC name of 6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol (CID 70197174) is 6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol.
What is the SMILES notation for 6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol?
The canonical SMILES for 6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol is COc1ccc2cc(Br)ccc2c1C.COc1ccc2cc(Br)ccc2c1CO.
What is the InChIKey of 6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol?
The InChIKey is FSBANRFOYLSPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2.C12H11BrO/c1-15-12-5-2-8-6-9(13)3-4-10(8)11(12)7-14;1-8-11-5-4-10(13)7-9(11)3-6-12(8)14-2/h2-6,14H,7H2,1H3;3-7H,1-2H3.
What are the key properties of 6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol?
6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol has a molecular weight of 518.25 g/mol, XLogP of 7.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol is sourced from PubChem (CID 70197174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).