2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone

C16H15BrO2 — CID 11370597

IUPAC2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone
SMILESCc1ccc(C(=O)CBr)c(OCc2ccccc2)c1
InChIInChI=1S/C16H15BrO2/c1-12-7-8-14(15(18)10-17)16(9-12)19-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyYMMYOVATZFCPJX-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.15
Rot. Bonds5

About 2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone

2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone (PubChem CID 11370597) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone
PubChem CID11370597
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone
SMILESCc1ccc(C(=O)CBr)c(OCc2ccccc2)c1
InChIInChI=1S/C16H15BrO2/c1-12-7-8-14(15(18)10-17)16(9-12)19-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
InChIKeyYMMYOVATZFCPJX-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone 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

2-bromo-1-(4-butoxy-2-phenylmethoxyphenyl)ethanone
CID 139559458
2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850
2-bromo-1-[2-methyl-3,4-bis(phenylmethoxy)phenyl]ethanone
CID 87906872
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid
CID 154940980
4-bromo-2-(5-methyl-2-phenylmethoxyphenoxy)butanoic acid
CID 154940943
ethane;4-phenylmethoxyphthalic acid
CID 90802135
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
2-bromo-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanone
CID 13440082
1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
2-bromo-1-(2-fluoro-3-phenylmethoxyphenyl)ethanone;1-(2-fluoro-3-phenylmethoxyphenyl)ethanone
CID 157334885
1-[2,4-bis(phenylmethoxy)phenyl]octan-1-one
CID 141320093

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone?
The IUPAC name of 2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone (CID 11370597) is 2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone is Cc1ccc(C(=O)CBr)c(OCc2ccccc2)c1.
What is the InChIKey of 2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone?
The InChIKey is YMMYOVATZFCPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-12-7-8-14(15(18)10-17)16(9-12)19-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3.
What are the key properties of 2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone?
2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone has a molecular weight of 319.20 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 11370597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).