(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone

C18H12BrFO — CID 107949912

IUPAC(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)c(Br)c2)c2ccccc12
InChIInChI=1S/C18H12BrFO/c1-11-6-8-15(14-5-3-2-4-13(11)14)18(21)12-7-9-17(20)16(19)10-12/h2-10H,1H3
InChIKeyUGBDNTIUHYHWJZ-UHFFFAOYSA-N
MW343.20 g/mol
LogP5.28
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone

(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone (PubChem CID 107949912) has the molecular formula C18H12BrFO and a molecular weight of 343.20 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone
PubChem CID107949912
Molecular FormulaC18H12BrFO
Molecular Weight343.20 g/mol
Exact Mass342.01
IUPAC Name(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)c(Br)c2)c2ccccc12
InChIInChI=1S/C18H12BrFO/c1-11-6-8-15(14-5-3-2-4-13(11)14)18(21)12-7-9-17(20)16(19)10-12/h2-10H,1H3
InChIKeyUGBDNTIUHYHWJZ-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.20
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960064
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
CID 81472431
(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591374
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
CID 82808642
1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 62914265
(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960063
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone
CID 81142563
(3-bromo-4-fluorophenyl)-(5-methylfuran-2-yl)methanone
CID 79735004

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone (CID 107949912) is (3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone is Cc1ccc(C(=O)c2ccc(F)c(Br)c2)c2ccccc12.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone?
The InChIKey is UGBDNTIUHYHWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFO/c1-11-6-8-15(14-5-3-2-4-13(11)14)18(21)12-7-9-17(20)16(19)10-12/h2-10H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone?
(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone has a molecular weight of 343.20 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 107949912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).