1-bromo-2-chloro-3-methoxybenzene

C7H6BrClO — CID 23287864

IUPAC1-bromo-2-chloro-3-methoxybenzene
SMILESCOc1cccc(Br)c1Cl
InChIInChI=1S/C7H6BrClO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChIKeyXOZKQZFQBFNXPW-UHFFFAOYSA-N
MW221.48 g/mol
LogP3.11
Rot. Bonds1

About 1-bromo-2-chloro-3-methoxybenzene

1-bromo-2-chloro-3-methoxybenzene (PubChem CID 23287864) has the molecular formula C7H6BrClO and a molecular weight of 221.48 g/mol. Its IUPAC name is 1-bromo-2-chloro-3-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-chloro-3-methoxybenzene
PubChem CID23287864
Molecular FormulaC7H6BrClO
Molecular Weight221.48 g/mol
Exact Mass219.93
IUPAC Name1-bromo-2-chloro-3-methoxybenzene
SMILESCOc1cccc(Br)c1Cl
InChIInChI=1S/C7H6BrClO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChIKeyXOZKQZFQBFNXPW-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Chloroanisole
CID 13011
1-Bromo-3,5-dichloro-2-methoxybenzene
CID 17087326
4-Bromo-2-chloroanisole
CID 3016537
2-Bromo-6-chloroanisole
CID 23433617
5-Bromo-2-chloroanisole
CID 2769567
2-Bromo-1-chloro-4-methoxybenzene
CID 24212081
1-Bromo-2-chloro-4-methoxybenzene
CID 2756863
1-Bromo-3-chloro-5-methoxybenzene
CID 21949840
1-Bromo-2-chloro-3,5-dimethoxybenzene
CID 81718590
4-Bromo-2-chloro-6-iodoanisole
CID 101585753
Allyl 4-bromo-2-chlorophenyl ether
CID 3359713
4-Bromo-2-chloro-1-(trifluoromethoxy)benzene
CID 18350457

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-3-methoxybenzene?
The IUPAC name of 1-bromo-2-chloro-3-methoxybenzene (CID 23287864) is 1-bromo-2-chloro-3-methoxybenzene.
What is the SMILES notation for 1-bromo-2-chloro-3-methoxybenzene?
The canonical SMILES for 1-bromo-2-chloro-3-methoxybenzene is COc1cccc(Br)c1Cl.
What is the InChIKey of 1-bromo-2-chloro-3-methoxybenzene?
The InChIKey is XOZKQZFQBFNXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3.
What are the key properties of 1-bromo-2-chloro-3-methoxybenzene?
1-bromo-2-chloro-3-methoxybenzene has a molecular weight of 221.48 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-3-methoxybenzene is sourced from PubChem (CID 23287864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).