1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol

C17H24O2 — CID 79558645

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol
SMILESOC(CCOc1ccccc1)CC1CC2CCC1C2
InChIInChI=1S/C17H24O2/c18-16(8-9-19-17-4-2-1-3-5-17)12-15-11-13-6-7-14(15)10-13/h1-5,13-16,18H,6-12H2
InChIKeyMIMMLSQFJPBAAT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.64
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol (PubChem CID 79558645) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol
PubChem CID79558645
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol
SMILESOC(CCOc1ccccc1)CC1CC2CCC1C2
InChIInChI=1S/C17H24O2/c18-16(8-9-19-17-4-2-1-3-5-17)12-15-11-13-6-7-14(15)10-13/h1-5,13-16,18H,6-12H2
InChIKeyMIMMLSQFJPBAAT-UHFFFAOYSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-one
CID 79558066
1,5-diphenoxypentan-3-ol
CID 5314309
1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol
CID 63519467
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11929122
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 115831957
(3R)-1-phenoxyhexan-3-ol
CID 102063151
N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide
CID 11944432
(1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane
CID 71507650
2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 115819525
1-phenoxyhept-6-yn-3-ol
CID 63657279
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]ethanol
CID 79552161

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol (CID 79558645) is 1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol is OC(CCOc1ccccc1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol?
The InChIKey is MIMMLSQFJPBAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c18-16(8-9-19-17-4-2-1-3-5-17)12-15-11-13-6-7-14(15)10-13/h1-5,13-16,18H,6-12H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol is sourced from PubChem (CID 79558645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).