1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol

C14H18BrClO2 — CID 107947559

IUPAC1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol
SMILESOC(CCCC1CCCO1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H18BrClO2/c15-11-7-10(8-12(16)9-11)14(17)5-1-3-13-4-2-6-18-13/h7-9,13-14,17H,1-6H2
InChIKeyFCEGCJAEINYOHE-UHFFFAOYSA-N
MW333.65 g/mol
LogP4.49
Rot. Bonds5

About 1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol

1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol (PubChem CID 107947559) has the molecular formula C14H18BrClO2 and a molecular weight of 333.65 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol
PubChem CID107947559
Molecular FormulaC14H18BrClO2
Molecular Weight333.65 g/mol
Exact Mass332.02
IUPAC Name1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol
SMILESOC(CCCC1CCCO1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H18BrClO2/c15-11-7-10(8-12(16)9-11)14(17)5-1-3-13-4-2-6-18-13/h7-9,13-14,17H,1-6H2
InChIKeyFCEGCJAEINYOHE-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chlorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 107946066
1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 107946069
1-(3-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 114454051
1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 107946074
[1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 114023446
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161658
1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65162393
1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol
CID 65161859
1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 115809368
1-(3-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167485
1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol
CID 66055685

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol (CID 107947559) is 1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol is OC(CCCC1CCCO1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is FCEGCJAEINYOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO2/c15-11-7-10(8-12(16)9-11)14(17)5-1-3-13-4-2-6-18-13/h7-9,13-14,17H,1-6H2.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol?
1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 333.65 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 107947559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).