1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene

C14H11BrClFO — CID 155588527

IUPAC1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene
SMILESFc1cc(CCl)c(OCc2ccccc2)cc1Br
InChIInChI=1S/C14H11BrClFO/c15-12-7-14(11(8-16)6-13(12)17)18-9-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyXVKYRUSSQORFOT-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.91
Rot. Bonds4

About 1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene

1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene (PubChem CID 155588527) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene.

Molecular Properties

Compound Name1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene
PubChem CID155588527
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene
SMILESFc1cc(CCl)c(OCc2ccccc2)cc1Br
InChIInChI=1S/C14H11BrClFO/c15-12-7-14(11(8-16)6-13(12)17)18-9-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyXVKYRUSSQORFOT-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-bromo-5-fluoro-2-phenylmethoxybenzoate
CID 122458122
(4,5-difluoro-2-phenylmethoxyphenyl)methanol
CID 130119023
2-(4-bromo-5-fluoro-2-phenylmethoxyphenyl)-2-methylpropanal
CID 155588522
2-(5-bromo-4-fluoro-2-phenylmethoxyphenyl)-1,3-dioxole
CID 178077173
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene
CID 170746175
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene
CID 102939906
4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
CID 28981507
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene?
The IUPAC name of 1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene (CID 155588527) is 1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene.
What is the SMILES notation for 1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene?
The canonical SMILES for 1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene is Fc1cc(CCl)c(OCc2ccccc2)cc1Br.
What is the InChIKey of 1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene?
The InChIKey is XVKYRUSSQORFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c15-12-7-14(11(8-16)6-13(12)17)18-9-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene?
1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene has a molecular weight of 329.60 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene is sourced from PubChem (CID 155588527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).