(3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C17H14BrClO — CID 107949659

IUPAC(3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H14BrClO/c18-15-8-14(9-16(19)10-15)17(20)13-6-5-11-3-1-2-4-12(11)7-13/h5-10H,1-4H2
InChIKeyFBJYQAYGKJDJTE-UHFFFAOYSA-N
MW349.66 g/mol
LogP5.21
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

(3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 107949659) has the molecular formula C17H14BrClO and a molecular weight of 349.66 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID107949659
Molecular FormulaC17H14BrClO
Molecular Weight349.66 g/mol
Exact Mass347.99
IUPAC Name(3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H14BrClO/c18-15-8-14(9-16(19)10-15)17(20)13-6-5-11-3-1-2-4-12(11)7-13/h5-10H,1-4H2
InChIKeyFBJYQAYGKJDJTE-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.66
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107979596
6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107949673
(4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone
CID 107957051
(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43161073
(3-bromo-5-chlorophenyl)-[(1E)-cycloocten-1-yl]methanone
CID 114019180
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107874132
N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9328814
2,3-dihydro-1H-inden-5-yl(naphthalen-2-yl)methanone
CID 43338934
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
3-bromo-5-chlorobenzoyl chloride
CID 50998129

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 107949659) is (3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is O=C(c1cc(Cl)cc(Br)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is FBJYQAYGKJDJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClO/c18-15-8-14(9-16(19)10-15)17(20)13-6-5-11-3-1-2-4-12(11)7-13/h5-10H,1-4H2.
What are the key properties of (3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
(3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 349.66 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 107949659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).