2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol

C15H20BrClO2 — CID 82779450

IUPAC2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol
SMILESCC(O)(CCCC1CCCO1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H20BrClO2/c1-15(18,8-2-4-12-5-3-9-19-12)13-7-6-11(16)10-14(13)17/h6-7,10,12,18H,2-5,8-9H2,1H3
InChIKeyUMMXGLOIGSAWBZ-UHFFFAOYSA-N
MW347.68 g/mol
LogP4.66
Rot. Bonds5

About 2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol

2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol (PubChem CID 82779450) has the molecular formula C15H20BrClO2 and a molecular weight of 347.68 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol
PubChem CID82779450
Molecular FormulaC15H20BrClO2
Molecular Weight347.68 g/mol
Exact Mass346.03
IUPAC Name2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol
SMILESCC(O)(CCCC1CCCO1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H20BrClO2/c1-15(18,8-2-4-12-5-3-9-19-12)13-7-6-11(16)10-14(13)17/h6-7,10,12,18H,2-5,8-9H2,1H3
InChIKeyUMMXGLOIGSAWBZ-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol
CID 82779706
2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol
CID 114191784
2-(4-bromo-2-chlorophenyl)-6-methylheptan-2-ol
CID 83157267
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
N-[(4-bromo-2-chlorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115652022
1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 115809368
1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976767
1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol
CID 82779522
2-[3-(4-bromo-2-methylphenoxy)propyl]oxolane
CID 65161593
1-(5-bromo-2-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 104993366
4-bromo-2-ethyl-N-[3-(oxolan-2-yl)propyl]aniline
CID 81292324
1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol
CID 65161752

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol (CID 82779450) is 2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol is CC(O)(CCCC1CCCO1)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol?
The InChIKey is UMMXGLOIGSAWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClO2/c1-15(18,8-2-4-12-5-3-9-19-12)13-7-6-11(16)10-14(13)17/h6-7,10,12,18H,2-5,8-9H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol?
2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol has a molecular weight of 347.68 g/mol, XLogP of 4.66, 5 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)-5-(oxolan-2-yl)pentan-2-ol is sourced from PubChem (CID 82779450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).