1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene

C18H21BrO3 — CID 135296706

IUPAC1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene
SMILESCOCCCOc1cc(C)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C18H21BrO3/c1-14-11-17(21-10-6-9-20-2)18(12-16(14)19)22-13-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3
InChIKeyXXWXSLXRKYCYBC-UHFFFAOYSA-N
MW365.27 g/mol
LogP4.75
Rot. Bonds8

About 1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene

1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene (PubChem CID 135296706) has the molecular formula C18H21BrO3 and a molecular weight of 365.27 g/mol. Its IUPAC name is 1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene.

Molecular Properties

Compound Name1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene
PubChem CID135296706
Molecular FormulaC18H21BrO3
Molecular Weight365.27 g/mol
Exact Mass364.07
IUPAC Name1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene
SMILESCOCCCOc1cc(C)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C18H21BrO3/c1-14-11-17(21-10-6-9-20-2)18(12-16(14)19)22-13-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3
InChIKeyXXWXSLXRKYCYBC-UHFFFAOYSA-N
XLogP4.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene 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

1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine
CID 142409271
1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90350663
1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
CID 59224132
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
5-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]-2,2-dimethyl-1-nitrosopyrrolidine
CID 135297112
5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride
CID 146330375
N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine
CID 59494923
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
2-bromo-5-methyl-4-phenylmethoxybenzoic acid
CID 151110927
1-(3-methoxypropoxy)-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 86730354
2-bromo-1-(3-methoxypropoxy)-4-methylbenzene
CID 60778653

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene?
The IUPAC name of 1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene (CID 135296706) is 1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene.
What is the SMILES notation for 1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene?
The canonical SMILES for 1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene is COCCCOc1cc(C)c(Br)cc1OCc1ccccc1.
What is the InChIKey of 1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene?
The InChIKey is XXWXSLXRKYCYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO3/c1-14-11-17(21-10-6-9-20-2)18(12-16(14)19)22-13-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3.
What are the key properties of 1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene?
1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene has a molecular weight of 365.27 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene is sourced from PubChem (CID 135296706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).