4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene

C18H21BrO2 — CID 43324734

IUPAC4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
SMILESCOc1ccc(CBr)cc1OCc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21BrO2/c1-13(2)16-7-4-14(5-8-16)12-21-18-10-15(11-19)6-9-17(18)20-3/h4-10,13H,11-12H2,1-3H3
InChIKeyHJTOIGIAOJOJBO-UHFFFAOYSA-N
MW349.27 g/mol
LogP5.29
Rot. Bonds6

About 4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene

4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene (PubChem CID 43324734) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
PubChem CID43324734
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
SMILESCOc1ccc(CBr)cc1OCc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21BrO2/c1-13(2)16-7-4-14(5-8-16)12-21-18-10-15(11-19)6-9-17(18)20-3/h4-10,13H,11-12H2,1-3H3
InChIKeyHJTOIGIAOJOJBO-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.27
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine
CID 28973773
4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 28973814
1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63534360
4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
CID 43141748
2-(bromomethyl)-4-methyl-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63535406
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene
CID 62103662
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43141529
2-bromo-4-(chloromethyl)-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63536071
1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
CID 130325597
2-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-4-chloro-1-fluorobenzene
CID 103047043
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene?
The IUPAC name of 4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene (CID 43324734) is 4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene.
What is the SMILES notation for 4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene?
The canonical SMILES for 4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene is COc1ccc(CBr)cc1OCc1ccc(C(C)C)cc1.
What is the InChIKey of 4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene?
The InChIKey is HJTOIGIAOJOJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-13(2)16-7-4-14(5-8-16)12-21-18-10-15(11-19)6-9-17(18)20-3/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene?
4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene has a molecular weight of 349.27 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene is sourced from PubChem (CID 43324734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).