(4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol

C18H17FO2 — CID 65153464

IUPAC(4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2ccc(F)c3ccccc23)c1C
InChIInChI=1S/C18H17FO2/c1-10-11(2)21-12(3)17(10)18(20)15-8-9-16(19)14-7-5-4-6-13(14)15/h4-9,18,20H,1-3H3
InChIKeyDJDLSSMLRJQKNI-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.58
Rot. Bonds2

About (4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol

(4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol (PubChem CID 65153464) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is (4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol
PubChem CID65153464
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name(4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2ccc(F)c3ccccc23)c1C
InChIInChI=1S/C18H17FO2/c1-10-11(2)21-12(3)17(10)18(20)15-8-9-16(19)14-7-5-4-6-13(14)15/h4-9,18,20H,1-3H3
InChIKeyDJDLSSMLRJQKNI-UHFFFAOYSA-N
XLogP4.58
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115796955
quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol
CID 115826290
(2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65152971
2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol
CID 164892255
(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 114560508
(4-chloronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 79591905
(2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 106884178
(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115855177
thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153315
(2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid
CID 86333572
(2,6-difluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432506
(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 79590688

Frequently Asked Questions

What is the IUPAC name of (4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
The IUPAC name of (4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol (CID 65153464) is (4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol.
What is the SMILES notation for (4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
The canonical SMILES for (4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol is Cc1oc(C)c(C(O)c2ccc(F)c3ccccc23)c1C.
What is the InChIKey of (4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
The InChIKey is DJDLSSMLRJQKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c1-10-11(2)21-12(3)17(10)18(20)15-8-9-16(19)14-7-5-4-6-13(14)15/h4-9,18,20H,1-3H3.
What are the key properties of (4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol?
(4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol has a molecular weight of 284.33 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol is sourced from PubChem (CID 65153464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).