2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol

C14H18BrClO2 — CID 82779706

IUPAC2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol
SMILESCC(O)(CCC1CCCO1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H18BrClO2/c1-14(17,7-6-11-3-2-8-18-11)12-5-4-10(15)9-13(12)16/h4-5,9,11,17H,2-3,6-8H2,1H3
InChIKeyUHZQMQBTHXTJKW-UHFFFAOYSA-N
MW333.65 g/mol
LogP4.27
Rot. Bonds4

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

2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol (PubChem CID 82779706) has the molecular formula C14H18BrClO2 and a molecular weight of 333.65 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol
PubChem CID82779706
Molecular FormulaC14H18BrClO2
Molecular Weight333.65 g/mol
Exact Mass332.02
IUPAC Name2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol
SMILESCC(O)(CCC1CCCO1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H18BrClO2/c1-14(17,7-6-11-3-2-8-18-11)12-5-4-10(15)9-13(12)16/h4-5,9,11,17H,2-3,6-8H2,1H3
InChIKeyUHZQMQBTHXTJKW-UHFFFAOYSA-N
XLogP4.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol
CID 82779450
N-[(4-bromo-2-chlorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115652022
2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol
CID 83157267
1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 115809368
1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol
CID 82779522
2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
CID 82780730
2-(4-bromo-2-fluorophenyl)-2-(oxolan-2-ylmethylamino)propanoic acid
CID 82966847
2-(4-chlorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65167302
4-bromo-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42999359
2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol
CID 82779284
N-[[5-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 65158549
1-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 105037671

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol (CID 82779706) is 2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol is CC(O)(CCC1CCCO1)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol?
The InChIKey is UHZQMQBTHXTJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO2/c1-14(17,7-6-11-3-2-8-18-11)12-5-4-10(15)9-13(12)16/h4-5,9,11,17H,2-3,6-8H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol?
2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol has a molecular weight of 333.65 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol is sourced from PubChem (CID 82779706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).