3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol

C20H24O — CID 63902024

IUPAC3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
SMILESCC(c1ccccc1)C(O)CC1CCCc2ccccc21
InChIInChI=1S/C20H24O/c1-15(16-8-3-2-4-9-16)20(21)14-18-12-7-11-17-10-5-6-13-19(17)18/h2-6,8-10,13,15,18,20-21H,7,11-12,14H2,1H3
InChIKeyNILLBPVVGXKRCU-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.66
Rot. Bonds4

About 3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol

3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol (PubChem CID 63902024) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol.

Molecular Properties

Compound Name3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
PubChem CID63902024
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
SMILESCC(c1ccccc1)C(O)CC1CCCc2ccccc21
InChIInChI=1S/C20H24O/c1-15(16-8-3-2-4-9-16)20(21)14-18-12-7-11-17-10-5-6-13-19(17)18/h2-6,8-10,13,15,18,20-21H,7,11-12,14H2,1H3
InChIKeyNILLBPVVGXKRCU-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 79616532
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1,1-diethoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 79495849
1-cyclopropyl-1-ethoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 116712738
1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778435
1-(2-methylcyclopentyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 107192023
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
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-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63773172
2,3-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63770918
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 55242082

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol?
The IUPAC name of 3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol (CID 63902024) is 3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol.
What is the SMILES notation for 3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol?
The canonical SMILES for 3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol is CC(c1ccccc1)C(O)CC1CCCc2ccccc21.
What is the InChIKey of 3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol?
The InChIKey is NILLBPVVGXKRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-15(16-8-3-2-4-9-16)20(21)14-18-12-7-11-17-10-5-6-13-19(17)18/h2-6,8-10,13,15,18,20-21H,7,11-12,14H2,1H3.
What are the key properties of 3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol?
3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol has a molecular weight of 280.41 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol is sourced from PubChem (CID 63902024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).