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

C16H17BrO2 — CID 65327415

IUPAC1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
SMILESCOc1ccc(Br)c(CC(O)Cc2ccccc2)c1
InChIInChI=1S/C16H17BrO2/c1-19-15-7-8-16(17)13(11-15)10-14(18)9-12-5-3-2-4-6-12/h2-8,11,14,18H,9-10H2,1H3
InChIKeyOLFHAOFIOKRCBP-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.60
Rot. Bonds5

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

1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol (PubChem CID 65327415) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
PubChem CID65327415
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
SMILESCOc1ccc(Br)c(CC(O)Cc2ccccc2)c1
InChIInChI=1S/C16H17BrO2/c1-19-15-7-8-16(17)13(11-15)10-14(18)9-12-5-3-2-4-6-12/h2-8,11,14,18H,9-10H2,1H3
InChIKeyOLFHAOFIOKRCBP-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol
CID 65327369
1-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)propan-2-ol
CID 65325440
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
1-(2-bromo-5-methoxyphenyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 65325344
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66142881
1-(7-methoxynaphthalen-1-yl)-3-phenylpropan-2-ol
CID 115506158
1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777
1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
CID 113391274
1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol
CID 65325300
2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 65323842
1-(2-bromo-5-methoxyphenyl)-5-methoxypentan-2-ol
CID 65325734

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol (CID 65327415) is 1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol is COc1ccc(Br)c(CC(O)Cc2ccccc2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol?
The InChIKey is OLFHAOFIOKRCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-19-15-7-8-16(17)13(11-15)10-14(18)9-12-5-3-2-4-6-12/h2-8,11,14,18H,9-10H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol?
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol has a molecular weight of 321.21 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol is sourced from PubChem (CID 65327415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).