4-bromo-2-chloro-1-pentan-3-yloxybenzene

C11H14BrClO — CID 68867581

IUPAC4-bromo-2-chloro-1-pentan-3-yloxybenzene
SMILESCCC(CC)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClO/c1-3-9(4-2)14-11-6-5-8(12)7-10(11)13/h5-7,9H,3-4H2,1-2H3
InChIKeyXIMNEMJRPCZWQI-UHFFFAOYSA-N
MW277.59 g/mol
LogP4.67
Rot. Bonds4

About 4-bromo-2-chloro-1-pentan-3-yloxybenzene

4-bromo-2-chloro-1-pentan-3-yloxybenzene (PubChem CID 68867581) has the molecular formula C11H14BrClO and a molecular weight of 277.59 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-pentan-3-yloxybenzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-pentan-3-yloxybenzene
PubChem CID68867581
Molecular FormulaC11H14BrClO
Molecular Weight277.59 g/mol
Exact Mass275.99
IUPAC Name4-bromo-2-chloro-1-pentan-3-yloxybenzene
SMILESCCC(CC)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClO/c1-3-9(4-2)14-11-6-5-8(12)7-10(11)13/h5-7,9H,3-4H2,1-2H3
InChIKeyXIMNEMJRPCZWQI-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538
5-bromo-2-pentan-3-yloxybenzonitrile
CID 83146232
1-(4-bromo-2-chlorophenoxy)butan-2-ol
CID 60878201
5-bromo-2-pentan-3-yloxybenzenecarbothioamide
CID 83145045
1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol
CID 112679109
3-(4-bromo-2-chlorophenoxy)butanoic acid
CID 43536124
(1R)-1-(4-bromo-2-pentan-3-yloxyphenyl)ethanamine
CID 102946639
1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone
CID 102948061
1,4-dibromo-2,5-di(pentan-3-yloxy)benzene
CID 102111957
2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine
CID 63498240
4-bromo-2-chloro-1-[(2-methylpropan-2-yl)oxy]benzene
CID 59637134
2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752950

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-pentan-3-yloxybenzene?
The IUPAC name of 4-bromo-2-chloro-1-pentan-3-yloxybenzene (CID 68867581) is 4-bromo-2-chloro-1-pentan-3-yloxybenzene.
What is the SMILES notation for 4-bromo-2-chloro-1-pentan-3-yloxybenzene?
The canonical SMILES for 4-bromo-2-chloro-1-pentan-3-yloxybenzene is CCC(CC)Oc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-1-pentan-3-yloxybenzene?
The InChIKey is XIMNEMJRPCZWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO/c1-3-9(4-2)14-11-6-5-8(12)7-10(11)13/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-1-pentan-3-yloxybenzene?
4-bromo-2-chloro-1-pentan-3-yloxybenzene has a molecular weight of 277.59 g/mol, XLogP of 4.67, 4 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-pentan-3-yloxybenzene is sourced from PubChem (CID 68867581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).