1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane

C18H24Br2Cl2O2 — CID 158293693

IUPAC1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane
SMILESCC.COc1ccc(Br)c(C)c1.Cc1cc(O)ccc1Br.ClCCl
InChIInChI=1S/C8H9BrO.C7H7BrO.C2H6.CH2Cl2/c1-6-5-7(10-2)3-4-8(6)9;1-5-4-6(9)2-3-7(5)8;1-2;2-1-3/h3-5H,1-2H3;2-4,9H,1H3;1-2H3;1H2
InChIKeyGLQSPYYIOYNXCH-UHFFFAOYSA-N
MW503.10 g/mol
LogP7.68
Rot. Bonds1

About 1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane

1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane (PubChem CID 158293693) has the molecular formula C18H24Br2Cl2O2 and a molecular weight of 503.10 g/mol. Its IUPAC name is 1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane.

Molecular Properties

Compound Name1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane
PubChem CID158293693
Molecular FormulaC18H24Br2Cl2O2
Molecular Weight503.10 g/mol
Exact Mass499.95
IUPAC Name1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane
SMILESCC.COc1ccc(Br)c(C)c1.Cc1cc(O)ccc1Br.ClCCl
InChIInChI=1S/C8H9BrO.C7H7BrO.C2H6.CH2Cl2/c1-6-5-7(10-2)3-4-8(6)9;1-5-4-6(9)2-3-7(5)8;1-2;2-1-3/h3-5H,1-2H3;2-4,9H,1H3;1-2H3;1H2
InChIKeyGLQSPYYIOYNXCH-UHFFFAOYSA-N
XLogP7.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.10
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-bromo-3-methylphenyl)methoxy]phenol
CID 69115875
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
2-(4-bromo-3-methylphenoxy)-4-methoxyaniline
CID 83133415
2-bromo-1-(chloromethyl)-4-methoxybenzene
CID 18624207
2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 83133204
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 3117674
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
4-bromo-3-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978304
1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
CID 83134055
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
2-chloro-5-methoxy-3-methylphenol
CID 144544904

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane?
The IUPAC name of 1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane (CID 158293693) is 1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane.
What is the SMILES notation for 1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane?
The canonical SMILES for 1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane is CC.COc1ccc(Br)c(C)c1.Cc1cc(O)ccc1Br.ClCCl.
What is the InChIKey of 1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane?
The InChIKey is GLQSPYYIOYNXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO.C7H7BrO.C2H6.CH2Cl2/c1-6-5-7(10-2)3-4-8(6)9;1-5-4-6(9)2-3-7(5)8;1-2;2-1-3/h3-5H,1-2H3;2-4,9H,1H3;1-2H3;1H2.
What are the key properties of 1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane?
1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane has a molecular weight of 503.10 g/mol, XLogP of 7.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane is sourced from PubChem (CID 158293693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).