1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one

C19H19BrO — CID 63770747

IUPAC1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
SMILESO=C(Cc1cccc(Br)c1)CC1CCCc2ccccc21
InChIInChI=1S/C19H19BrO/c20-17-9-3-5-14(11-17)12-18(21)13-16-8-4-7-15-6-1-2-10-19(15)16/h1-3,5-6,9-11,16H,4,7-8,12-13H2
InChIKeySYWNOGRYXRDQIB-UHFFFAOYSA-N
MW343.26 g/mol
LogP5.07
Rot. Bonds4

About 1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one

1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one (PubChem CID 63770747) has the molecular formula C19H19BrO and a molecular weight of 343.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
PubChem CID63770747
Molecular FormulaC19H19BrO
Molecular Weight343.26 g/mol
Exact Mass342.06
IUPAC Name1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
SMILESO=C(Cc1cccc(Br)c1)CC1CCCc2ccccc21
InChIInChI=1S/C19H19BrO/c20-17-9-3-5-14(11-17)12-18(21)13-16-8-4-7-15-6-1-2-10-19(15)16/h1-3,5-6,9-11,16H,4,7-8,12-13H2
InChIKeySYWNOGRYXRDQIB-UHFFFAOYSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.26
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116659683
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116558983
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(4,5-dibromothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 114964210
2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 63773341
1-(2-bromo-5-fluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 114964226
(2S)-3-phenyl-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]propanoic acid
CID 119366685
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981
2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
CID 65408782

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The IUPAC name of 1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one (CID 63770747) is 1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The canonical SMILES for 1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one is O=C(Cc1cccc(Br)c1)CC1CCCc2ccccc21.
What is the InChIKey of 1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The InChIKey is SYWNOGRYXRDQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrO/c20-17-9-3-5-14(11-17)12-18(21)13-16-8-4-7-15-6-1-2-10-19(15)16/h1-3,5-6,9-11,16H,4,7-8,12-13H2.
What are the key properties of 1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one has a molecular weight of 343.26 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one is sourced from PubChem (CID 63770747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).