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

C19H21BrO — CID 63773341

IUPAC2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
SMILESCC(O)(CC1CCCc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C19H21BrO/c1-19(21,16-9-5-10-17(20)12-16)13-15-8-4-7-14-6-2-3-11-18(14)15/h2-3,5-6,9-12,15,21H,4,7-8,13H2,1H3
InChIKeyQVLGBTQMJPYZQW-UHFFFAOYSA-N
MW345.28 g/mol
LogP5.17
Rot. Bonds3

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

2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol (PubChem CID 63773341) has the molecular formula C19H21BrO and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
PubChem CID63773341
Molecular FormulaC19H21BrO
Molecular Weight345.28 g/mol
Exact Mass344.08
IUPAC Name2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
SMILESCC(O)(CC1CCCc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C19H21BrO/c1-19(21,16-9-5-10-17(20)12-16)13-15-8-4-7-14-6-2-3-11-18(14)15/h2-3,5-6,9-12,15,21H,4,7-8,13H2,1H3
InChIKeyQVLGBTQMJPYZQW-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.28
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 63772987
2,3-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63770918
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63770747
2-methyl-1-(2-methylpropylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 66037048
4-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63772262
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(3-bromophenyl)-1,2,3,4-tetrahydronaphthalene
CID 22613084
5-bromo-2-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63771421
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981
3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
CID 81022863
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
The IUPAC name of 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol (CID 63773341) is 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
The canonical SMILES for 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol is CC(O)(CC1CCCc2ccccc21)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
The InChIKey is QVLGBTQMJPYZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrO/c1-19(21,16-9-5-10-17(20)12-16)13-15-8-4-7-14-6-2-3-11-18(14)15/h2-3,5-6,9-12,15,21H,4,7-8,13H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol has a molecular weight of 345.28 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol is sourced from PubChem (CID 63773341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).