(3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone

C17H15BrO2 — CID 115812872

IUPAC(3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(OC3CC3)cc2)cc1Br
InChIInChI=1S/C17H15BrO2/c1-11-2-3-13(10-16(11)18)17(19)12-4-6-14(7-5-12)20-15-8-9-15/h2-7,10,15H,8-9H2,1H3
InChIKeyBOJZBUSSULONJV-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.53
Rot. Bonds4

About (3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone

(3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone (PubChem CID 115812872) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
PubChem CID115812872
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name(3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(OC3CC3)cc2)cc1Br
InChIInChI=1S/C17H15BrO2/c1-11-2-3-13(10-16(11)18)17(19)12-4-6-14(7-5-12)20-15-8-9-15/h2-7,10,15H,8-9H2,1H3
InChIKeyBOJZBUSSULONJV-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114518942
(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone
CID 79020160
(4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812876
(2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520639
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
CID 81471764
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
(3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520685
(3-bromo-4-methylphenyl)-cyclopentylmethanone
CID 82122935
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063
(2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812909

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone?
The IUPAC name of (3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone (CID 115812872) is (3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone is Cc1ccc(C(=O)c2ccc(OC3CC3)cc2)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone?
The InChIKey is BOJZBUSSULONJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2/c1-11-2-3-13(10-16(11)18)17(19)12-4-6-14(7-5-12)20-15-8-9-15/h2-7,10,15H,8-9H2,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone?
(3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone has a molecular weight of 331.21 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 115812872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).