3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol

C15H17FO — CID 79838193

IUPAC3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol
SMILESCC(C)(CCO)c1ccc(F)c2ccccc12
InChIInChI=1S/C15H17FO/c1-15(2,9-10-17)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8,17H,9-10H2,1-2H3
InChIKeyXTPDHLAFRMEZEG-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.64
Rot. Bonds3

About 3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol

3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol (PubChem CID 79838193) has the molecular formula C15H17FO and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol
PubChem CID79838193
Molecular FormulaC15H17FO
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol
SMILESCC(C)(CCO)c1ccc(F)c2ccccc12
InChIInChI=1S/C15H17FO/c1-15(2,9-10-17)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8,17H,9-10H2,1-2H3
InChIKeyXTPDHLAFRMEZEG-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylbutan-2-yl)-4-fluoronaphthalene
CID 79838304
3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol
CID 79838004
3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
CID 79837338
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
1-tert-butyl-5-fluoronaphthalene
CID 14176344
4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol
CID 66089558
3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 79837719
1-bromo-4-(4-bromo-2-methylbutan-2-yl)naphthalene
CID 79837640
3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol
CID 117289209
4,5-ditert-butyl-1-fluoronaphthalene
CID 162194038
4-(4-fluoronaphthalen-1-yl)-2,2-dimethylbutan-1-amine
CID 65305976
[2-(4-hydroxy-2-methylbutan-2-yl)phenyl] acetate
CID 122589207

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol?
The IUPAC name of 3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol (CID 79838193) is 3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol?
The canonical SMILES for 3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol is CC(C)(CCO)c1ccc(F)c2ccccc12.
What is the InChIKey of 3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol?
The InChIKey is XTPDHLAFRMEZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO/c1-15(2,9-10-17)13-7-8-14(16)12-6-4-3-5-11(12)13/h3-8,17H,9-10H2,1-2H3.
What are the key properties of 3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol?
3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol has a molecular weight of 232.30 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 79838193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).