2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol

C18H21BrO2 — CID 66059989

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol
SMILESCCC(CO)(Cc1cc(Br)ccc1OC)c1ccccc1
InChIInChI=1S/C18H21BrO2/c1-3-18(13-20,15-7-5-4-6-8-15)12-14-11-16(19)9-10-17(14)21-2/h4-11,20H,3,12-13H2,1-2H3
InChIKeyVUPIAKOWLSVIIA-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.34
Rot. Bonds6

About 2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol

2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol (PubChem CID 66059989) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol
PubChem CID66059989
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol
SMILESCCC(CO)(Cc1cc(Br)ccc1OC)c1ccccc1
InChIInChI=1S/C18H21BrO2/c1-3-18(13-20,15-7-5-4-6-8-15)12-14-11-16(19)9-10-17(14)21-2/h4-11,20H,3,12-13H2,1-2H3
InChIKeyVUPIAKOWLSVIIA-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol
CID 102621164
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725313
2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol
CID 66058930
3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151485
4-bromo-2-(2-chloro-2-methylpropyl)-1-methoxybenzene
CID 4605776
2-(aminomethyl)-3-(3-bromo-4-methoxyphenyl)-2-phenylpropan-1-ol
CID 106508119
1-(5-bromo-2-methoxyphenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996356
2-bromo-4-[2-(bromomethyl)-2-phenylbutyl]-1-methoxybenzene
CID 66049589
1-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833364
3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 66060063
2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine
CID 65327261
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 120586900

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol (CID 66059989) is 2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol is CCC(CO)(Cc1cc(Br)ccc1OC)c1ccccc1.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol?
The InChIKey is VUPIAKOWLSVIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-3-18(13-20,15-7-5-4-6-8-15)12-14-11-16(19)9-10-17(14)21-2/h4-11,20H,3,12-13H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol?
2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol has a molecular weight of 349.27 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylbutan-1-ol is sourced from PubChem (CID 66059989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).