1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol

C14H18ClFO2 — CID 65161658

IUPAC1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
SMILESOC(CCCC1CCCO1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18ClFO2/c15-12-7-6-10(9-13(12)16)14(17)5-1-3-11-4-2-8-18-11/h6-7,9,11,14,17H,1-5,8H2
InChIKeyLFRXUQWLTINTLW-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.86
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol

1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol (PubChem CID 65161658) has the molecular formula C14H18ClFO2 and a molecular weight of 272.75 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
PubChem CID65161658
Molecular FormulaC14H18ClFO2
Molecular Weight272.75 g/mol
Exact Mass272.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
SMILESOC(CCCC1CCCO1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18ClFO2/c15-12-7-6-10(9-13(12)16)14(17)5-1-3-11-4-2-8-18-11/h6-7,9,11,14,17H,1-5,8H2
InChIKeyLFRXUQWLTINTLW-UHFFFAOYSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161657
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 107993675
1-(3-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167485
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-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 105397716
1-(3-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 114454051
1-(3-bromo-5-chlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 107947559
4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-ol
CID 65161611
4-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65164140
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483
(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol (CID 65161658) is 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol is OC(CCCC1CCCO1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is LFRXUQWLTINTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO2/c15-12-7-6-10(9-13(12)16)14(17)5-1-3-11-4-2-8-18-11/h6-7,9,11,14,17H,1-5,8H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol?
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 272.75 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 65161658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).