1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol

C18H21BrO — CID 90913483

IUPAC1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol
SMILESCC(c1ccc(Br)cc1)c1ccc(CC(C)(C)O)cc1
InChIInChI=1S/C18H21BrO/c1-13(16-8-10-17(19)11-9-16)15-6-4-14(5-7-15)12-18(2,3)20/h4-11,13,20H,12H2,1-3H3
InChIKeyNMXBBDRPBGZADC-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.91
Rot. Bonds4

About 1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol

1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol (PubChem CID 90913483) has the molecular formula C18H21BrO and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol
PubChem CID90913483
Molecular FormulaC18H21BrO
Molecular Weight333.27 g/mol
Exact Mass332.08
IUPAC Name1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol
SMILESCC(c1ccc(Br)cc1)c1ccc(CC(C)(C)O)cc1
InChIInChI=1S/C18H21BrO/c1-13(16-8-10-17(19)11-9-16)15-6-4-14(5-7-15)12-18(2,3)20/h4-11,13,20H,12H2,1-3H3
InChIKeyNMXBBDRPBGZADC-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol
CID 91106431
1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
CID 82126479
1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol
CID 126511396
1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol
CID 117115386
methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate
CID 25020809
3-(aminomethyl)-4-(4-bromophenyl)-3-methylbutan-2-ol
CID 65393001
3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid
CID 115112809
3-(4-bromophenyl)-2-hydroxy-2-methylpropanal
CID 66037437
2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol
CID 91068472
3-[1-(4-bromophenyl)ethyl]aniline
CID 155293877
1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene
CID 11221951
4-(4-bromophenyl)-3-hydroxy-3-methylbutanoic acid
CID 82488625

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol (CID 90913483) is 1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol is CC(c1ccc(Br)cc1)c1ccc(CC(C)(C)O)cc1.
What is the InChIKey of 1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol?
The InChIKey is NMXBBDRPBGZADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO/c1-13(16-8-10-17(19)11-9-16)15-6-4-14(5-7-15)12-18(2,3)20/h4-11,13,20H,12H2,1-3H3.
What are the key properties of 1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol?
1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol has a molecular weight of 333.27 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 90913483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).