5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene

C10H12BrClO2 — CID 75486221

IUPAC5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene
SMILESCOc1cc(Br)cc(Cl)c1OC(C)C
InChIInChI=1S/C10H12BrClO2/c1-6(2)14-10-8(12)4-7(11)5-9(10)13-3/h4-6H,1-3H3
InChIKeyPYRHMPMVXYAHEO-UHFFFAOYSA-N
MW279.56 g/mol
LogP3.90
Rot. Bonds3

About 5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene

5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene (PubChem CID 75486221) has the molecular formula C10H12BrClO2 and a molecular weight of 279.56 g/mol. Its IUPAC name is 5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene
PubChem CID75486221
Molecular FormulaC10H12BrClO2
Molecular Weight279.56 g/mol
Exact Mass277.97
IUPAC Name5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene
SMILESCOc1cc(Br)cc(Cl)c1OC(C)C
InChIInChI=1S/C10H12BrClO2/c1-6(2)14-10-8(12)4-7(11)5-9(10)13-3/h4-6H,1-3H3
InChIKeyPYRHMPMVXYAHEO-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.56
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene
CID 164895327
2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene
CID 11681892
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
N-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43213831
4-bromo-2-methoxy-1-propan-2-yloxybenzene
CID 11149245
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
5-bromo-1-chloro-2-ethyl-3-methoxybenzene
CID 84707034
5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene
CID 68757966
[(2S)-1-amino-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 7711880
3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 59556655
3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide
CID 24645296

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene?
The IUPAC name of 5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene (CID 75486221) is 5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene.
What is the SMILES notation for 5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene?
The canonical SMILES for 5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene is COc1cc(Br)cc(Cl)c1OC(C)C.
What is the InChIKey of 5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene?
The InChIKey is PYRHMPMVXYAHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2/c1-6(2)14-10-8(12)4-7(11)5-9(10)13-3/h4-6H,1-3H3.
What are the key properties of 5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene?
5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene has a molecular weight of 279.56 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene is sourced from PubChem (CID 75486221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).