(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone

C18H12ClFO — CID 79591384

IUPAC(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H12ClFO/c1-11-6-7-12(20)10-16(11)18(21)15-8-9-17(19)14-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyGVRBQQLYVRXTAS-UHFFFAOYSA-N
MW298.74 g/mol
LogP5.17
Rot. Bonds2

About (4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone

(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone (PubChem CID 79591384) has the molecular formula C18H12ClFO and a molecular weight of 298.74 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone
PubChem CID79591384
Molecular FormulaC18H12ClFO
Molecular Weight298.74 g/mol
Exact Mass298.06
IUPAC Name(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H12ClFO/c1-11-6-7-12(20)10-16(11)18(21)15-8-9-17(19)14-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyGVRBQQLYVRXTAS-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.74
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591394
(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone
CID 79591122
(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591374
(2-chloro-3-fluorophenyl)-(5-fluoro-2-methylphenyl)methanone
CID 112694145
(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43159718
(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
CID 105396628
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528
(4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone
CID 79596882
(7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone
CID 103474322
(3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107096188
(5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone
CID 63948626
1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone
CID 103513654

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of (4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone (CID 79591384) is (4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone is Cc1ccc(F)cc1C(=O)c1ccc(Cl)c2ccccc12.
What is the InChIKey of (4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is GVRBQQLYVRXTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFO/c1-11-6-7-12(20)10-16(11)18(21)15-8-9-17(19)14-5-3-2-4-13(14)15/h2-10H,1H3.
What are the key properties of (4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone?
(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 298.74 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 79591384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).