1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol

C20H30O — CID 115778435

IUPAC1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
SMILESOC(CC1CCCCCC1)CC1CCCc2ccccc21
InChIInChI=1S/C20H30O/c21-19(14-16-8-3-1-2-4-9-16)15-18-12-7-11-17-10-5-6-13-20(17)18/h5-6,10,13,16,18-19,21H,1-4,7-9,11-12,14-15H2
InChIKeyVNJQRWLYLSXTLE-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.22
Rot. Bonds4

About 1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol

1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol (PubChem CID 115778435) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
PubChem CID115778435
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
SMILESOC(CC1CCCCCC1)CC1CCCc2ccccc21
InChIInChI=1S/C20H30O/c21-19(14-16-8-3-1-2-4-9-16)15-18-12-7-11-17-10-5-6-13-20(17)18/h5-6,10,13,16,18-19,21H,1-4,7-9,11-12,14-15H2
InChIKeyVNJQRWLYLSXTLE-UHFFFAOYSA-N
XLogP5.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 65130800
1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-ol
CID 63902035
1-(2-bicyclo[2.2.1]heptanyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778375
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 79616532
1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-ylamino)propan-2-ol
CID 103157324
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 104769305
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 64906726
1-(2-methylcyclopentyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 107192023
(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440
3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63902024

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
The IUPAC name of 1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol (CID 115778435) is 1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol.
What is the SMILES notation for 1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
The canonical SMILES for 1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol is OC(CC1CCCCCC1)CC1CCCc2ccccc21.
What is the InChIKey of 1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
The InChIKey is VNJQRWLYLSXTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c21-19(14-16-8-3-1-2-4-9-16)15-18-12-7-11-17-10-5-6-13-20(17)18/h5-6,10,13,16,18-19,21H,1-4,7-9,11-12,14-15H2.
What are the key properties of 1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol has a molecular weight of 286.46 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol is sourced from PubChem (CID 115778435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).