1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol

C19H17BrO — CID 79590447

IUPAC1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2ccc(Br)c3ccccc23)cc1
InChIInChI=1S/C19H17BrO/c1-13-6-8-14(9-7-13)12-19(21)17-10-11-18(20)16-5-3-2-4-15(16)17/h2-11,19,21H,12H2,1H3
InChIKeyRABZVFRTKFAMAV-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.19
Rot. Bonds3

About 1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol

1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol (PubChem CID 79590447) has the molecular formula C19H17BrO and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol
PubChem CID79590447
Molecular FormulaC19H17BrO
Molecular Weight341.25 g/mol
Exact Mass340.05
IUPAC Name1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2ccc(Br)c3ccccc23)cc1
InChIInChI=1S/C19H17BrO/c1-13-6-8-14(9-7-13)12-19(21)17-10-11-18(20)16-5-3-2-4-15(16)17/h2-11,19,21H,12H2,1H3
InChIKeyRABZVFRTKFAMAV-UHFFFAOYSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromonaphthalen-1-yl)propan-1-ol
CID 79597638
1-(4-bromonaphthalen-1-yl)-4-methylpentan-1-ol
CID 79597706
1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]naphthalene
CID 79590920
1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol
CID 79595189
1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine
CID 79589925
(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol
CID 106862775
1-(2-methoxyphenyl)-2-(4-methylphenyl)ethanol
CID 15638774
1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 79590884
2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 64990344
1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 81117922
(2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131393166
(2S)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131510376

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol?
The IUPAC name of 1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol (CID 79590447) is 1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol?
The canonical SMILES for 1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol is Cc1ccc(CC(O)c2ccc(Br)c3ccccc23)cc1.
What is the InChIKey of 1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol?
The InChIKey is RABZVFRTKFAMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO/c1-13-6-8-14(9-7-13)12-19(21)17-10-11-18(20)16-5-3-2-4-15(16)17/h2-11,19,21H,12H2,1H3.
What are the key properties of 1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol?
1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol has a molecular weight of 341.25 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 79590447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).