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

C15H20F2O2 — CID 107516246

IUPAC1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol
SMILESCc1ccc(C(O)CCC2CCCCO2)c(F)c1F
InChIInChI=1S/C15H20F2O2/c1-10-5-7-12(15(17)14(10)16)13(18)8-6-11-4-2-3-9-19-11/h5,7,11,13,18H,2-4,6,8-9H2,1H3
InChIKeySXRFBPHVIJGEIH-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.66
Rot. Bonds4

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

1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol (PubChem CID 107516246) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol
PubChem CID107516246
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol
SMILESCc1ccc(C(O)CCC2CCCCO2)c(F)c1F
InChIInChI=1S/C15H20F2O2/c1-10-5-7-12(15(17)14(10)16)13(18)8-6-11-4-2-3-9-19-11/h5,7,11,13,18H,2-4,6,8-9H2,1H3
InChIKeySXRFBPHVIJGEIH-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
3-(oxan-2-yl)-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797020
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79730679
1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol
CID 115833989
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483
1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 63953787
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732
1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 105397716
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161655
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 65299103
1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol
CID 63952380

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol (CID 107516246) is 1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol is Cc1ccc(C(O)CCC2CCCCO2)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol?
The InChIKey is SXRFBPHVIJGEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-10-5-7-12(15(17)14(10)16)13(18)8-6-11-4-2-3-9-19-11/h5,7,11,13,18H,2-4,6,8-9H2,1H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol?
1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol has a molecular weight of 270.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol is sourced from PubChem (CID 107516246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).