1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol

C17H24O — CID 79557822

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)CC1CC2CCC1C2
InChIInChI=1S/C17H24O/c1-12(14-5-3-2-4-6-14)17(18)11-16-10-13-7-8-15(16)9-13/h2-6,12-13,15-18H,7-11H2,1H3
InChIKeyAYJBLHWUBAIVRR-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.98
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol (PubChem CID 79557822) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol
PubChem CID79557822
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)CC1CC2CCC1C2
InChIInChI=1S/C17H24O/c1-12(14-5-3-2-4-6-14)17(18)11-16-10-13-7-8-15(16)9-13/h2-6,12-13,15-18H,7-11H2,1H3
InChIKeyAYJBLHWUBAIVRR-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol
CID 63681601
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol
CID 79559401
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine
CID 79561966
(1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol
CID 125183065
1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol
CID 79558645
3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine
CID 116773664
N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide
CID 21174649
[3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-1-phenylpropan-2-yl]hydrazine
CID 105279376
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 61089139
(1S,2R,4R)-2-[(E)-3-phenylprop-2-enyl]bicyclo[2.2.1]heptane
CID 71507650
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]ethanol
CID 79552161
1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol
CID 63519467

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol (CID 79557822) is 1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol is CC(c1ccccc1)C(O)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol?
The InChIKey is AYJBLHWUBAIVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-12(14-5-3-2-4-6-14)17(18)11-16-10-13-7-8-15(16)9-13/h2-6,12-13,15-18H,7-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol is sourced from PubChem (CID 79557822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).