1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol

C14H18F2O2 — CID 79730679

IUPAC1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESCc1cc(C(O)CCC2CCCO2)c(F)cc1F
InChIInChI=1S/C14H18F2O2/c1-9-7-11(13(16)8-12(9)15)14(17)5-4-10-3-2-6-18-10/h7-8,10,14,17H,2-6H2,1H3
InChIKeySLJRDFVCNNVXKG-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.27
Rot. Bonds4

About 1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol

1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 79730679) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID79730679
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESCc1cc(C(O)CCC2CCCO2)c(F)cc1F
InChIInChI=1S/C14H18F2O2/c1-9-7-11(13(16)8-12(9)15)14(17)5-4-10-3-2-6-18-10/h7-8,10,14,17H,2-6H2,1H3
InChIKeySLJRDFVCNNVXKG-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
2-[3-chloro-3-(2,4-difluoro-5-methylphenyl)propyl]oxane
CID 79730448
3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 79730321
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483
2-[3-bromo-3-(2,4-difluoro-5-methylphenyl)propyl]oxane
CID 79731373
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 107516246
1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 105397716
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613
3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797020
1-(3-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 114454051
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol (CID 79730679) is 1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol is Cc1cc(C(O)CCC2CCCO2)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is SLJRDFVCNNVXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c1-9-7-11(13(16)8-12(9)15)14(17)5-4-10-3-2-6-18-10/h7-8,10,14,17H,2-6H2,1H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol?
1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 256.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 79730679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).