1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol

C17H19BrO2 — CID 115791105

IUPAC1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol
SMILESCOc1cc(Br)ccc1C(O)CCCc1ccccc1
InChIInChI=1S/C17H19BrO2/c1-20-17-12-14(18)10-11-15(17)16(19)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,16,19H,5,8-9H2,1H3
InChIKeyKNFOZDZJASLLCY-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.51
Rot. Bonds6

About 1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol

1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol (PubChem CID 115791105) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol
PubChem CID115791105
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol
SMILESCOc1cc(Br)ccc1C(O)CCCc1ccccc1
InChIInChI=1S/C17H19BrO2/c1-20-17-12-14(18)10-11-15(17)16(19)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,16,19H,5,8-9H2,1H3
InChIKeyKNFOZDZJASLLCY-UHFFFAOYSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849428
1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
1-(4-bromo-2-methoxyphenyl)-3-phenylpropan-1-amine
CID 115794460
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 114978934
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol
CID 114980288
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058
4-amino-1-(4-bromo-2-methoxyphenyl)butane-1,2-diol
CID 171882378
(1S)-1-[4-bromo-2-(3-phenylpropoxy)phenyl]ethanamine
CID 102947124

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol (CID 115791105) is 1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol is COc1cc(Br)ccc1C(O)CCCc1ccccc1.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol?
The InChIKey is KNFOZDZJASLLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-20-17-12-14(18)10-11-15(17)16(19)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,16,19H,5,8-9H2,1H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol?
1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol has a molecular weight of 335.24 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol is sourced from PubChem (CID 115791105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).