3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol

C10H11BrCl2O2 — CID 106704198

IUPAC3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol
SMILESCC(O)C(C)Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C10H11BrCl2O2/c1-5(14)6(2)15-10-4-8(12)7(11)3-9(10)13/h3-6,14H,1-2H3
InChIKeyNFRKGZCPNBZBPN-UHFFFAOYSA-N
MW314.01 g/mol
LogP3.90
Rot. Bonds3

About 3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol

3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol (PubChem CID 106704198) has the molecular formula C10H11BrCl2O2 and a molecular weight of 314.01 g/mol. Its IUPAC name is 3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol.

Molecular Properties

Compound Name3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol
PubChem CID106704198
Molecular FormulaC10H11BrCl2O2
Molecular Weight314.01 g/mol
Exact Mass311.93
IUPAC Name3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol
SMILESCC(O)C(C)Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C10H11BrCl2O2/c1-5(14)6(2)15-10-4-8(12)7(11)3-9(10)13/h3-6,14H,1-2H3
InChIKeyNFRKGZCPNBZBPN-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.01
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
CID 97057561
2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide
CID 107661601
2-(4-bromo-2,5-dichlorophenoxy)-4-methylpentanoic acid
CID 114282482
2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide
CID 107661616
(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659040
1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659061
2-(4-bromo-2,5-dichlorophenoxy)-N-methylpentan-1-amine
CID 107661046
3-(4,5-dichloro-2-nitrophenoxy)butan-2-ol
CID 107501296
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652
2-(2,4,5-trichlorophenoxy)propanoyl chloride
CID 71363977
(1R)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659058

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol?
The IUPAC name of 3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol (CID 106704198) is 3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol.
What is the SMILES notation for 3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol?
The canonical SMILES for 3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol is CC(O)C(C)Oc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol?
The InChIKey is NFRKGZCPNBZBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2O2/c1-5(14)6(2)15-10-4-8(12)7(11)3-9(10)13/h3-6,14H,1-2H3.
What are the key properties of 3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol?
3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol has a molecular weight of 314.01 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol is sourced from PubChem (CID 106704198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).