1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol

C16H22O2 — CID 101123780

IUPAC1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol
SMILESCC(O)COc1ccccc1C1CC2CCC1C2
InChIInChI=1S/C16H22O2/c1-11(17)10-18-16-5-3-2-4-14(16)15-9-12-6-7-13(15)8-12/h2-5,11-13,15,17H,6-10H2,1H3
InChIKeyOWCOSZITLUIQNR-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.35
Rot. Bonds4

About 1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol

1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol (PubChem CID 101123780) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol
PubChem CID101123780
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol
SMILESCC(O)COc1ccccc1C1CC2CCC1C2
InChIInChI=1S/C16H22O2/c1-11(17)10-18-16-5-3-2-4-14(16)15-9-12-6-7-13(15)8-12/h2-5,11-13,15,17H,6-10H2,1H3
InChIKeyOWCOSZITLUIQNR-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium
CID 5260368
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline
CID 86079692
N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 63453271
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]ethanol
CID 79552161
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diol
CID 92980858
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
(1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane
CID 16687687
1-(2-bicyclo[2.2.1]heptanyloxy)propan-2-ol
CID 73302120
2,6-bis(2-bicyclo[2.2.1]heptanyl)benzoic acid
CID 118566261
1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone
CID 122390793

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol (CID 101123780) is 1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol is CC(O)COc1ccccc1C1CC2CCC1C2.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol?
The InChIKey is OWCOSZITLUIQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11(17)10-18-16-5-3-2-4-14(16)15-9-12-6-7-13(15)8-12/h2-5,11-13,15,17H,6-10H2,1H3.
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol?
1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol has a molecular weight of 246.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol is sourced from PubChem (CID 101123780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).