6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol

C20H18F2O — CID 139849914

IUPAC6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol
SMILESCCCCc1ccc(-c2cc(F)c3c(F)c(O)ccc3c2)cc1
InChIInChI=1S/C20H18F2O/c1-2-3-4-13-5-7-14(8-6-13)16-11-15-9-10-18(23)20(22)19(15)17(21)12-16/h5-12,23H,2-4H2,1H3
InChIKeyIEQYDYASMJAOEU-UHFFFAOYSA-N
MW312.36 g/mol
LogP5.83
Rot. Bonds4

About 6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol

6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol (PubChem CID 139849914) has the molecular formula C20H18F2O and a molecular weight of 312.36 g/mol. Its IUPAC name is 6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol.

Molecular Properties

Compound Name6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol
PubChem CID139849914
Molecular FormulaC20H18F2O
Molecular Weight312.36 g/mol
Exact Mass312.13
IUPAC Name6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol
SMILESCCCCc1ccc(-c2cc(F)c3c(F)c(O)ccc3c2)cc1
InChIInChI=1S/C20H18F2O/c1-2-3-4-13-5-7-14(8-6-13)16-11-15-9-10-18(23)20(22)19(15)17(21)12-16/h5-12,23H,2-4H2,1H3
InChIKeyIEQYDYASMJAOEU-UHFFFAOYSA-N
XLogP5.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.36
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,8-difluoro-6-(4-pentylphenyl)naphthalen-2-ol
CID 139849886
6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol
CID 139849915
6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene
CID 139847349
5-[4-[4-(4-butylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 157287017
6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene
CID 139847368
6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol
CID 139849979
1,3,8-trifluoro-6-(4-heptylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855963
5-[4-[7-[4-(3,5-difluoro-4-pentylphenyl)phenyl]heptyl]phenyl]-1,3-difluoro-2-pentylbenzene
CID 121343129
2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol
CID 18552265
1,2-difluoro-6-(4-hexylphenyl)naphthalene
CID 139846673
4-(3,5-dibutylphenyl)phenol
CID 175464122
2-(4-butylphenyl)-3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenol
CID 173325915

Frequently Asked Questions

What is the IUPAC name of 6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol?
The IUPAC name of 6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol (CID 139849914) is 6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol.
What is the SMILES notation for 6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol?
The canonical SMILES for 6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol is CCCCc1ccc(-c2cc(F)c3c(F)c(O)ccc3c2)cc1.
What is the InChIKey of 6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol?
The InChIKey is IEQYDYASMJAOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2O/c1-2-3-4-13-5-7-14(8-6-13)16-11-15-9-10-18(23)20(22)19(15)17(21)12-16/h5-12,23H,2-4H2,1H3.
What are the key properties of 6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol?
6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol has a molecular weight of 312.36 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylphenyl)-1,8-difluoronaphthalen-2-ol is sourced from PubChem (CID 139849914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).