3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol

C16H17BrO2 — CID 66060063

IUPAC3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
SMILESCOc1ccc(Br)cc1CC(CO)c1ccccc1
InChIInChI=1S/C16H17BrO2/c1-19-16-8-7-15(17)10-13(16)9-14(11-18)12-5-3-2-4-6-12/h2-8,10,14,18H,9,11H2,1H3
InChIKeyRDLOZQQHLNYQRH-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.78
Rot. Bonds5

About 3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol

3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol (PubChem CID 66060063) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
PubChem CID66060063
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
SMILESCOc1ccc(Br)cc1CC(CO)c1ccccc1
InChIInChI=1S/C16H17BrO2/c1-19-16-8-7-15(17)10-13(16)9-14(11-18)12-5-3-2-4-6-12/h2-8,10,14,18H,9,11H2,1H3
InChIKeyRDLOZQQHLNYQRH-UHFFFAOYSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene
CID 79419172
(5-bromo-2-methoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
CID 7311451
3-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-ol
CID 66059844
4-bromo-2-(3-chloro-3-phenylpropyl)-1-methoxybenzene
CID 63460540
3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 112538811
2-(2-benzyl-3-chloropropyl)-4-bromo-1-methoxybenzene
CID 66034057
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
[2-(5-bromo-2-methoxyphenyl)-1-(3-bromophenyl)ethyl]hydrazine
CID 105198026
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313
1-(2-aminophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 64832581
2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol
CID 66059875

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol (CID 66060063) is 3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol is COc1ccc(Br)cc1CC(CO)c1ccccc1.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol?
The InChIKey is RDLOZQQHLNYQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-19-16-8-7-15(17)10-13(16)9-14(11-18)12-5-3-2-4-6-12/h2-8,10,14,18H,9,11H2,1H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol?
3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol has a molecular weight of 321.21 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol is sourced from PubChem (CID 66060063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).