(1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol

C16H22O2 — CID 114245584

IUPAC(1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1OC1CC2CCC1C2
InChIInChI=1S/C16H22O2/c1-2-14(17)13-5-3-4-6-15(13)18-16-10-11-7-8-12(16)9-11/h3-6,11-12,14,16-17H,2,7-10H2,1H3/t11?,12?,14-,16?/m1/s1
InChIKeyBMBAKGPOABJJOJ-VTUJEPCUSA-N
MW246.35 g/mol
LogP3.70
Rot. Bonds4

About (1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol

(1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol (PubChem CID 114245584) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol
PubChem CID114245584
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1OC1CC2CCC1C2
InChIInChI=1S/C16H22O2/c1-2-14(17)13-5-3-4-6-15(13)18-16-10-11-7-8-12(16)9-11/h3-6,11-12,14,16-17H,2,7-10H2,1H3/t11?,12?,14-,16?/m1/s1
InChIKeyBMBAKGPOABJJOJ-VTUJEPCUSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopentyloxyphenyl)propan-1-ol
CID 43503588
(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
CID 18556056
N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine
CID 114245396
(1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol
CID 103960164
1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone
CID 117051795
[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine
CID 152547672
(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol
CID 107135067
methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate
CID 117053875
3-[2-(1-hydroxypropyl)phenoxy]azepan-2-one
CID 43503545
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]ethanol
CID 79552161
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
(1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol
CID 114245585

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol (CID 114245584) is (1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1OC1CC2CCC1C2.
What is the InChIKey of (1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol?
The InChIKey is BMBAKGPOABJJOJ-VTUJEPCUSA-N. The full InChI is InChI=1S/C16H22O2/c1-2-14(17)13-5-3-4-6-15(13)18-16-10-11-7-8-12(16)9-11/h3-6,11-12,14,16-17H,2,7-10H2,1H3/t11?,12?,14-,16?/m1/s1.
What are the key properties of (1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol?
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol is sourced from PubChem (CID 114245584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).