4-bromo-2-chloro-1-phenylmethoxybenzene

C13H10BrClO — CID 10913524

IUPAC4-bromo-2-chloro-1-phenylmethoxybenzene
SMILESClc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C13H10BrClO/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyRUVDUIQMBVBZFS-UHFFFAOYSA-N
MW297.58 g/mol
LogP4.68
Rot. Bonds3

About 4-bromo-2-chloro-1-phenylmethoxybenzene

4-bromo-2-chloro-1-phenylmethoxybenzene (PubChem CID 10913524) has the molecular formula C13H10BrClO and a molecular weight of 297.58 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-phenylmethoxybenzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-phenylmethoxybenzene
PubChem CID10913524
Molecular FormulaC13H10BrClO
Molecular Weight297.58 g/mol
Exact Mass295.96
IUPAC Name4-bromo-2-chloro-1-phenylmethoxybenzene
SMILESClc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C13H10BrClO/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyRUVDUIQMBVBZFS-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.58
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Bromo-4-phenylmethoxybenzene
CID 138835
Benzyl o-chlorophenyl ether
CID 6421527
4-Benzyloxy-3-chlorophenylboronic acid
CID 3763657
Allyl 4-bromo-2-chlorophenyl ether
CID 3359713
2,4-Dichloro-1-(phenylmethoxy)benzene
CID 302968
B-(4-((3-Bromophenyl)methoxy)-3-chlorophenyl)boronic acid
CID 16217768
1-Bromo-5-chloro-4-methoxy-2-methylbenzene
CID 23247371
4-(Bromomethyl)-2-chloro-1-ethoxybenzene
CID 55207664
2-(Benzyloxy)-1-chloro-3-fluorobenzene
CID 53216982
4-Bromo-1-(but-3-yn-1-yloxy)-2-chlorobenzene
CID 63656440
1-(Benzyloxy)-2-bromo-4-chlorobenzene
CID 11551125
5-Bromo-1,3-dichloro-2-(3-isopropyl-4-methoxyphenoxy)benzene
CID 11728852

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-phenylmethoxybenzene?
The IUPAC name of 4-bromo-2-chloro-1-phenylmethoxybenzene (CID 10913524) is 4-bromo-2-chloro-1-phenylmethoxybenzene.
What is the SMILES notation for 4-bromo-2-chloro-1-phenylmethoxybenzene?
The canonical SMILES for 4-bromo-2-chloro-1-phenylmethoxybenzene is Clc1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 4-bromo-2-chloro-1-phenylmethoxybenzene?
The InChIKey is RUVDUIQMBVBZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 4-bromo-2-chloro-1-phenylmethoxybenzene?
4-bromo-2-chloro-1-phenylmethoxybenzene has a molecular weight of 297.58 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-phenylmethoxybenzene is sourced from PubChem (CID 10913524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).