1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol

C18H18F2O — CID 63773172

IUPAC1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
SMILESOC(CC1CCCc2ccccc21)c1cc(F)cc(F)c1
InChIInChI=1S/C18H18F2O/c19-15-8-14(9-16(20)11-15)18(21)10-13-6-3-5-12-4-1-2-7-17(12)13/h1-2,4,7-9,11,13,18,21H,3,5-6,10H2
InChIKeyOXVQTUIKYAVADC-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.51
Rot. Bonds3

About 1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol

1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol (PubChem CID 63773172) has the molecular formula C18H18F2O and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
PubChem CID63773172
Molecular FormulaC18H18F2O
Molecular Weight288.34 g/mol
Exact Mass288.13
IUPAC Name1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
SMILESOC(CC1CCCc2ccccc21)c1cc(F)cc(F)c1
InChIInChI=1S/C18H18F2O/c19-15-8-14(9-16(20)11-15)18(21)10-13-6-3-5-12-4-1-2-7-17(12)13/h1-2,4,7-9,11,13,18,21H,3,5-6,10H2
InChIKeyOXVQTUIKYAVADC-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanol
CID 63771282
[1-(4-fluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105192680
1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63771109
1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 79427536
1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778435
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63902024
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol
CID 107978498
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(3-methyl-2-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63773352
4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)aniline
CID 79147734

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The IUPAC name of 1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol (CID 63773172) is 1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol is OC(CC1CCCc2ccccc21)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The InChIKey is OXVQTUIKYAVADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O/c19-15-8-14(9-16(20)11-15)18(21)10-13-6-3-5-12-4-1-2-7-17(12)13/h1-2,4,7-9,11,13,18,21H,3,5-6,10H2.
What are the key properties of 1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol has a molecular weight of 288.34 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol is sourced from PubChem (CID 63773172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).