1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol

C17H19BrO2 — CID 63015995

IUPAC1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(CCC(O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrO2/c1-20-17-10-5-13(6-11-17)4-9-16(19)12-14-2-7-15(18)8-3-14/h2-3,5-8,10-11,16,19H,4,9,12H2,1H3
InChIKeyKNMPWVKIECFIHE-UHFFFAOYSA-N
MW335.24 g/mol
LogP3.99
Rot. Bonds6

About 1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol

1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol (PubChem CID 63015995) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
PubChem CID63015995
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(CCC(O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrO2/c1-20-17-10-5-13(6-11-17)4-9-16(19)12-14-2-7-15(18)8-3-14/h2-3,5-8,10-11,16,19H,4,9,12H2,1H3
InChIKeyKNMPWVKIECFIHE-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115802735
1-bromo-4-[2-bromo-4-(4-methoxyphenyl)butyl]benzene
CID 63542238
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
CID 63016896
1-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923
1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008038
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]benzene
CID 55199636
1-(4-bromophenyl)-5-methoxypentan-2-ol
CID 62608729
4-ethoxy-1-(4-methoxyphenyl)butan-2-ol
CID 62606919
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol (CID 63015995) is 1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol is COc1ccc(CCC(O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol?
The InChIKey is KNMPWVKIECFIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-20-17-10-5-13(6-11-17)4-9-16(19)12-14-2-7-15(18)8-3-14/h2-3,5-8,10-11,16,19H,4,9,12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol?
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol has a molecular weight of 335.24 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 63015995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).