1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol

C19H17BrO — CID 81475739

IUPAC1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol
SMILESCc1ccc(C(O)Cc2cccc3ccccc23)cc1Br
InChIInChI=1S/C19H17BrO/c1-13-9-10-16(11-18(13)20)19(21)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11,19,21H,12H2,1H3
InChIKeyLWWOYNVUMCOJGN-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.19
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol

1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol (PubChem CID 81475739) has the molecular formula C19H17BrO and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol
PubChem CID81475739
Molecular FormulaC19H17BrO
Molecular Weight341.25 g/mol
Exact Mass340.05
IUPAC Name1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol
SMILESCc1ccc(C(O)Cc2cccc3ccccc23)cc1Br
InChIInChI=1S/C19H17BrO/c1-13-9-10-16(11-18(13)20)19(21)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11,19,21H,12H2,1H3
InChIKeyLWWOYNVUMCOJGN-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

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Related Compounds

1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene
CID 81476246
1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107307685
(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
CID 81476478
1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
CID 81488822
1-(3-bromo-4-methylphenyl)-2-(3-bromophenyl)ethanol
CID 81488750
1-(4-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanol
CID 65149639
1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol
CID 81488850
2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 114977277
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 115786511
1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
CID 81447481
1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818511

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol (CID 81475739) is 1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol is Cc1ccc(C(O)Cc2cccc3ccccc23)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol?
The InChIKey is LWWOYNVUMCOJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO/c1-13-9-10-16(11-18(13)20)19(21)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11,19,21H,12H2,1H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol?
1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol 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-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol is sourced from PubChem (CID 81475739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).