[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol

C15H18F2O2 — CID 79887957

IUPAC[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(OCC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C15H18F2O2/c16-13-5-10(7-18)6-14(17)15(13)19-8-12-4-9-1-2-11(12)3-9/h5-6,9,11-12,18H,1-4,7-8H2
InChIKeyAKJVXQNRJZJDLT-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.27
Rot. Bonds4

About [4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol

[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol (PubChem CID 79887957) has the molecular formula C15H18F2O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is [4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol
PubChem CID79887957
Molecular FormulaC15H18F2O2
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Name[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(OCC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C15H18F2O2/c16-13-5-10(7-18)6-14(17)15(13)19-8-12-4-9-1-2-11(12)3-9/h5-6,9,11-12,18H,1-4,7-8H2
InChIKeyAKJVXQNRJZJDLT-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol with MolForge

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Related Compounds

4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide
CID 81264869
[4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol
CID 106929822
[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol
CID 79552519
2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid
CID 107014523
2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine
CID 79563052
2-[4-(chloromethyl)-2,6-difluorophenoxy]bicyclo[2.2.1]heptane
CID 114245614
(4-cyclopropyloxy-3,5-difluorophenyl)methanol
CID 126982122
3-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]prop-2-yn-1-ol
CID 79561131
2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine
CID 112614818
4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide
CID 79558786
[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol
CID 79887800
2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane
CID 79559319

Frequently Asked Questions

What is the IUPAC name of [4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol (CID 79887957) is [4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol is OCc1cc(F)c(OCC2CC3CCC2C3)c(F)c1.
What is the InChIKey of [4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol?
The InChIKey is AKJVXQNRJZJDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O2/c16-13-5-10(7-18)6-14(17)15(13)19-8-12-4-9-1-2-11(12)3-9/h5-6,9,11-12,18H,1-4,7-8H2.
What are the key properties of [4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol?
[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol has a molecular weight of 268.30 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 [4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 79887957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).