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

C19H17BrO — CID 135015525

IUPAC1-(1-bromonaphthalen-2-yl)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C19H17BrO/c1-13-6-8-14(9-7-13)12-18(21)17-11-10-15-4-2-3-5-16(15)19(17)20/h2-11,18,21H,12H2,1H3
InChIKeyCZMVNRROOANQRI-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.19
Rot. Bonds3

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

1-(1-bromonaphthalen-2-yl)-2-(4-methylphenyl)ethanol (PubChem CID 135015525) has the molecular formula C19H17BrO and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(1-bromonaphthalen-2-yl)-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(1-bromonaphthalen-2-yl)-2-(4-methylphenyl)ethanol
PubChem CID135015525
Molecular FormulaC19H17BrO
Molecular Weight341.25 g/mol
Exact Mass340.05
IUPAC Name1-(1-bromonaphthalen-2-yl)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C19H17BrO/c1-13-6-8-14(9-7-13)12-18(21)17-11-10-15-4-2-3-5-16(15)19(17)20/h2-11,18,21H,12H2,1H3
InChIKeyCZMVNRROOANQRI-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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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromonaphthalen-2-yl)-2-(4-methylphenyl)ethanol?
The IUPAC name of 1-(1-bromonaphthalen-2-yl)-2-(4-methylphenyl)ethanol (CID 135015525) is 1-(1-bromonaphthalen-2-yl)-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-(1-bromonaphthalen-2-yl)-2-(4-methylphenyl)ethanol?
The canonical SMILES for 1-(1-bromonaphthalen-2-yl)-2-(4-methylphenyl)ethanol is Cc1ccc(CC(O)c2ccc3ccccc3c2Br)cc1.
What is the InChIKey of 1-(1-bromonaphthalen-2-yl)-2-(4-methylphenyl)ethanol?
The InChIKey is CZMVNRROOANQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO/c1-13-6-8-14(9-7-13)12-18(21)17-11-10-15-4-2-3-5-16(15)19(17)20/h2-11,18,21H,12H2,1H3.
What are the key properties of 1-(1-bromonaphthalen-2-yl)-2-(4-methylphenyl)ethanol?
1-(1-bromonaphthalen-2-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-(1-bromonaphthalen-2-yl)-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 135015525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).