4-benzhydryl-2-bromo-1-methoxybenzene

C20H17BrO — CID 12672614

IUPAC4-benzhydryl-2-bromo-1-methoxybenzene
SMILESCOc1ccc(C(c2ccccc2)c2ccccc2)cc1Br
InChIInChI=1S/C20H17BrO/c1-22-19-13-12-17(14-18(19)21)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3
InChIKeyJFSZYQMQIRVPFB-UHFFFAOYSA-N
MW353.26 g/mol
LogP5.64
Rot. Bonds4

About 4-benzhydryl-2-bromo-1-methoxybenzene

4-benzhydryl-2-bromo-1-methoxybenzene (PubChem CID 12672614) has the molecular formula C20H17BrO and a molecular weight of 353.26 g/mol. Its IUPAC name is 4-benzhydryl-2-bromo-1-methoxybenzene.

Molecular Properties

Compound Name4-benzhydryl-2-bromo-1-methoxybenzene
PubChem CID12672614
Molecular FormulaC20H17BrO
Molecular Weight353.26 g/mol
Exact Mass352.05
IUPAC Name4-benzhydryl-2-bromo-1-methoxybenzene
SMILESCOc1ccc(C(c2ccccc2)c2ccccc2)cc1Br
InChIInChI=1S/C20H17BrO/c1-22-19-13-12-17(14-18(19)21)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3
InChIKeyJFSZYQMQIRVPFB-UHFFFAOYSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.26
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]aniline
CID 43756086
(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788667
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539
5-benzhydryl-2-methoxybenzaldehyde
CID 134942077
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene
CID 63435883
(2S,3S)-2,3-dibromo-3-(3-bromo-4-methoxyphenyl)-1-phenylpropan-1-one
CID 7036004
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]naphthalene
CID 63427689
(1S,2S)-1-(3-bromo-4-methoxyphenyl)propane-1,2-diamine
CID 131002328
3-amino-1-(3-bromo-4-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 79135603

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-2-bromo-1-methoxybenzene?
The IUPAC name of 4-benzhydryl-2-bromo-1-methoxybenzene (CID 12672614) is 4-benzhydryl-2-bromo-1-methoxybenzene.
What is the SMILES notation for 4-benzhydryl-2-bromo-1-methoxybenzene?
The canonical SMILES for 4-benzhydryl-2-bromo-1-methoxybenzene is COc1ccc(C(c2ccccc2)c2ccccc2)cc1Br.
What is the InChIKey of 4-benzhydryl-2-bromo-1-methoxybenzene?
The InChIKey is JFSZYQMQIRVPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrO/c1-22-19-13-12-17(14-18(19)21)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3.
What are the key properties of 4-benzhydryl-2-bromo-1-methoxybenzene?
4-benzhydryl-2-bromo-1-methoxybenzene has a molecular weight of 353.26 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-2-bromo-1-methoxybenzene is sourced from PubChem (CID 12672614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).