2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol

C17H18Br2O2 — CID 66058451

IUPAC2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol
SMILESCOc1ccc(Br)c(CC(CO)Cc2cccc(Br)c2)c1
InChIInChI=1S/C17H18Br2O2/c1-21-16-5-6-17(19)14(10-16)8-13(11-20)7-12-3-2-4-15(18)9-12/h2-6,9-10,13,20H,7-8,11H2,1H3
InChIKeyHAAHBXCJHJADMV-UHFFFAOYSA-N
MW414.14 g/mol
LogP4.61
Rot. Bonds6

About 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol

2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol (PubChem CID 66058451) has the molecular formula C17H18Br2O2 and a molecular weight of 414.14 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol
PubChem CID66058451
Molecular FormulaC17H18Br2O2
Molecular Weight414.14 g/mol
Exact Mass411.97
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol
SMILESCOc1ccc(Br)c(CC(CO)Cc2cccc(Br)c2)c1
InChIInChI=1S/C17H18Br2O2/c1-21-16-5-6-17(19)14(10-16)8-13(11-20)7-12-3-2-4-15(18)9-12/h2-6,9-10,13,20H,7-8,11H2,1H3
InChIKeyHAAHBXCJHJADMV-UHFFFAOYSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.14
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)propan-2-ol
CID 65325440
2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582
2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol
CID 66059292
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 65323842
2-[(3-bromophenyl)methyl]-4-ethoxybutan-1-ol
CID 66058870
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 62515402
2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059508
2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 66058873
2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine
CID 65326574
2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 86811592

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol (CID 66058451) is 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol is COc1ccc(Br)c(CC(CO)Cc2cccc(Br)c2)c1.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol?
The InChIKey is HAAHBXCJHJADMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2O2/c1-21-16-5-6-17(19)14(10-16)8-13(11-20)7-12-3-2-4-15(18)9-12/h2-6,9-10,13,20H,7-8,11H2,1H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol?
2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol has a molecular weight of 414.14 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(3-bromophenyl)propan-1-ol is sourced from PubChem (CID 66058451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).