[5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol

C15H18F2O2 — CID 153410052

IUPAC[5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol
SMILESCCC1CC(c2ccc(F)cc2F)=COC1(C)CO
InChIInChI=1S/C15H18F2O2/c1-3-11-6-10(8-19-15(11,2)9-18)13-5-4-12(16)7-14(13)17/h4-5,7-8,11,18H,3,6,9H2,1-2H3
InChIKeySOBJBBLUSYMJMP-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.50
Rot. Bonds3

About [5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol

[5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol (PubChem CID 153410052) has the molecular formula C15H18F2O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol
PubChem CID153410052
Molecular FormulaC15H18F2O2
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Name[5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol
SMILESCCC1CC(c2ccc(F)cc2F)=COC1(C)CO
InChIInChI=1S/C15H18F2O2/c1-3-11-6-10(8-19-15(11,2)9-18)13-5-4-12(16)7-14(13)17/h4-5,7-8,11,18H,3,6,9H2,1-2H3
InChIKeySOBJBBLUSYMJMP-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran
CID 153410094
[(2R)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 175232862
[(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 153410093
1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene
CID 135292727
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
[3-(2,4-difluorophenyl)oxetan-3-yl]methanol
CID 116829723
(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 153410062
[5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
CID 151236789
(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 153410075
3-(2,4-difluorophenyl)cyclohex-2-en-1-ol
CID 65177210
[1-(2,4-difluorophenyl)cyclobutyl]methanol
CID 83686222

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol?
The IUPAC name of [5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol (CID 153410052) is [5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol.
What is the SMILES notation for [5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol?
The canonical SMILES for [5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol is CCC1CC(c2ccc(F)cc2F)=COC1(C)CO.
What is the InChIKey of [5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol?
The InChIKey is SOBJBBLUSYMJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O2/c1-3-11-6-10(8-19-15(11,2)9-18)13-5-4-12(16)7-14(13)17/h4-5,7-8,11,18H,3,6,9H2,1-2H3.
What are the key properties of [5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol?
[5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol has a molecular weight of 268.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol is sourced from PubChem (CID 153410052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).