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

C20H24O — CID 63519467

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol
SMILESOC(Cc1cccc2ccccc12)CC1CC2CCC1C2
InChIInChI=1S/C20H24O/c21-19(13-18-11-14-8-9-16(18)10-14)12-17-6-3-5-15-4-1-2-7-20(15)17/h1-7,14,16,18-19,21H,8-13H2
InChIKeyNYXRZGGGVFXOBK-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.57
Rot. Bonds4

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

1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol (PubChem CID 63519467) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol
PubChem CID63519467
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol
SMILESOC(Cc1cccc2ccccc12)CC1CC2CCC1C2
InChIInChI=1S/C20H24O/c21-19(13-18-11-14-8-9-16(18)10-14)12-17-6-3-5-15-4-1-2-7-20(15)17/h1-7,14,16,18-19,21H,8-13H2
InChIKeyNYXRZGGGVFXOBK-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-2-naphthalen-1-ylethanamine
CID 63528750
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol
CID 55224817
1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol
CID 79558645
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 115831957
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 55223377
1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778375
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine
CID 79561076
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 106274498
1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 43081550
2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene
CID 63519319
1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol
CID 115822961
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-4-methoxyphenyl)propan-2-ol
CID 115779476

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol (CID 63519467) is 1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol is OC(Cc1cccc2ccccc12)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol?
The InChIKey is NYXRZGGGVFXOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c21-19(13-18-11-14-8-9-16(18)10-14)12-17-6-3-5-15-4-1-2-7-20(15)17/h1-7,14,16,18-19,21H,8-13H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol has a molecular weight of 280.41 g/mol, XLogP of 4.57, 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-naphthalen-1-ylpropan-2-ol is sourced from PubChem (CID 63519467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).