1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene

C13H13BrO3 — CID 135381311

IUPAC1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene
SMILESCOCOc1c(OC)cc2ccccc2c1Br
InChIInChI=1S/C13H13BrO3/c1-15-8-17-13-11(16-2)7-9-5-3-4-6-10(9)12(13)14/h3-7H,8H2,1-2H3
InChIKeyXLMWZDBZESGWMM-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.59
Rot. Bonds4

About 1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene

1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene (PubChem CID 135381311) has the molecular formula C13H13BrO3 and a molecular weight of 297.15 g/mol. Its IUPAC name is 1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene.

Molecular Properties

Compound Name1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene
PubChem CID135381311
Molecular FormulaC13H13BrO3
Molecular Weight297.15 g/mol
Exact Mass296.00
IUPAC Name1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene
SMILESCOCOc1c(OC)cc2ccccc2c1Br
InChIInChI=1S/C13H13BrO3/c1-15-8-17-13-11(16-2)7-9-5-3-4-6-10(9)12(13)14/h3-7H,8H2,1-2H3
InChIKeyXLMWZDBZESGWMM-UHFFFAOYSA-N
XLogP3.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;sulfane
CID 155819548
3-bromo-2-(methoxymethoxy)-1-methylnaphthalene
CID 135380428
1-bromo-2-methoxy-3-methylnaphthalene
CID 23018719
9,10-bis(methoxymethoxy)anthracene
CID 150706504
2-ethyl-4-methoxy-1H-benzo[g]indole
CID 22381004
5-methoxybenzo[c]phenanthrene
CID 621003
1-(2,3-dimethoxynaphthalen-1-yl)-4-[4-[4-[4-[4-[4-(2,3-dimethoxynaphthalen-1-yl)-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalene
CID 102019300
3-bromo-6-methoxy-2-(methoxymethoxy)phenol
CID 67466846
5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
CID 164894429
2-bromo-1,4-dimethoxy-3-(methoxymethoxy)-5-(4-methoxyphenyl)benzene
CID 23538777
methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane
CID 59921434
4-[3-formyl-2-(methoxymethoxy)naphthalen-1-yl]-3-(methoxymethoxy)naphthalene-2-carbaldehyde
CID 15246820

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene?
The IUPAC name of 1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene (CID 135381311) is 1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene.
What is the SMILES notation for 1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene?
The canonical SMILES for 1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene is COCOc1c(OC)cc2ccccc2c1Br.
What is the InChIKey of 1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene?
The InChIKey is XLMWZDBZESGWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO3/c1-15-8-17-13-11(16-2)7-9-5-3-4-6-10(9)12(13)14/h3-7H,8H2,1-2H3.
What are the key properties of 1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene?
1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene has a molecular weight of 297.15 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene is sourced from PubChem (CID 135381311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).