(2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C18H17BrO — CID 107126828

IUPAC(2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCc1ccc(C(=O)C2CCc3ccccc3C2)c(Br)c1
InChIInChI=1S/C18H17BrO/c1-12-6-9-16(17(19)10-12)18(20)15-8-7-13-4-2-3-5-14(13)11-15/h2-6,9-10,15H,7-8,11H2,1H3
InChIKeyNJYOUHFOBBUJFU-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.75
Rot. Bonds2

About (2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

(2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 107126828) has the molecular formula C18H17BrO and a molecular weight of 329.24 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID107126828
Molecular FormulaC18H17BrO
Molecular Weight329.24 g/mol
Exact Mass328.05
IUPAC Name(2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCc1ccc(C(=O)C2CCc3ccccc3C2)c(Br)c1
InChIInChI=1S/C18H17BrO/c1-12-6-9-16(17(19)10-12)18(20)15-8-7-13-4-2-3-5-14(13)11-15/h2-6,9-10,15H,7-8,11H2,1H3
InChIKeyNJYOUHFOBBUJFU-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of (2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 107126828) is (2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for (2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for (2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is Cc1ccc(C(=O)C2CCc3ccccc3C2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is NJYOUHFOBBUJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO/c1-12-6-9-16(17(19)10-12)18(20)15-8-7-13-4-2-3-5-14(13)11-15/h2-6,9-10,15H,7-8,11H2,1H3.
What are the key properties of (2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
(2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 329.24 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 107126828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).