4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol

C18H21BrO2 — CID 66058675

IUPAC4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol
SMILESCc1ccccc1CC(CO)CCOc1ccc(Br)cc1
InChIInChI=1S/C18H21BrO2/c1-14-4-2-3-5-16(14)12-15(13-20)10-11-21-18-8-6-17(19)7-9-18/h2-9,15,20H,10-13H2,1H3
InChIKeyGNNCUMAZUMXIBH-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.38
Rot. Bonds7

About 4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol

4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol (PubChem CID 66058675) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol
PubChem CID66058675
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol
SMILESCc1ccccc1CC(CO)CCOc1ccc(Br)cc1
InChIInChI=1S/C18H21BrO2/c1-14-4-2-3-5-16(14)12-15(13-20)10-11-21-18-8-6-17(19)7-9-18/h2-9,15,20H,10-13H2,1H3
InChIKeyGNNCUMAZUMXIBH-UHFFFAOYSA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(bromomethyl)-4-phenoxybutyl]-2-methylbenzene
CID 66043142
5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol
CID 66059935
N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
CID 113099729
2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66060380
4-(4-bromophenoxy)butan-2-ol
CID 112686550
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060375
5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol
CID 113474720
2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol
CID 83977208
2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057841
1-bromo-2-[2-(chloromethyl)-4-phenoxybutyl]benzene
CID 66049907
(2R)-2-(2-aminoethyl)-4-(4-methylphenoxy)butan-1-ol;hydrochloride
CID 68628093
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol?
The IUPAC name of 4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol (CID 66058675) is 4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol.
What is the SMILES notation for 4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol?
The canonical SMILES for 4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol is Cc1ccccc1CC(CO)CCOc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol?
The InChIKey is GNNCUMAZUMXIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-14-4-2-3-5-16(14)12-15(13-20)10-11-21-18-8-6-17(19)7-9-18/h2-9,15,20H,10-13H2,1H3.
What are the key properties of 4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol?
4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol has a molecular weight of 349.27 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol is sourced from PubChem (CID 66058675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).