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

C19H17BrO — CID 135015718

IUPAC1-(2-bromonaphthalen-1-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1c(Br)ccc2ccccc12
InChIInChI=1S/C19H17BrO/c1-13-6-2-3-8-15(13)12-18(21)19-16-9-5-4-7-14(16)10-11-17(19)20/h2-11,18,21H,12H2,1H3
InChIKeyJQLQSACSOKJBDA-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.19
Rot. Bonds3

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

1-(2-bromonaphthalen-1-yl)-2-(2-methylphenyl)ethanol (PubChem CID 135015718) has the molecular formula C19H17BrO and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(2-bromonaphthalen-1-yl)-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromonaphthalen-1-yl)-2-(2-methylphenyl)ethanol
PubChem CID135015718
Molecular FormulaC19H17BrO
Molecular Weight341.25 g/mol
Exact Mass340.05
IUPAC Name1-(2-bromonaphthalen-1-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1c(Br)ccc2ccccc12
InChIInChI=1S/C19H17BrO/c1-13-6-2-3-8-15(13)12-18(21)19-16-9-5-4-7-14(16)10-11-17(19)20/h2-11,18,21H,12H2,1H3
InChIKeyJQLQSACSOKJBDA-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

Bromadiolone metabolite Unk 1
CID 139595396
(3-Bromonaphthalen-2-yl)methanol
CID 264948
(8-Bromonaphthalen-1-yl)methanol
CID 2780087
1-Naphthalenol, 3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-
CID 92048
1-(10-Bromophenanthren-9-yl)-2-(dibutylamino)ethanol
CID 320544
7-Bromo-2-naphthalenemethanol
CID 22240133
(4-Bromonaphthalen-2-yl)methanol
CID 59869315
1-(10-Bromophenanthren-9-yl)-2-(diheptylamino)ethanol
CID 320546
2-(Dibutylamino)-1-(2,7,10-tribromophenanthren-9-yl)ethanol
CID 430112
1-(2-Bromophenanthren-1-yl)-2-(diheptylamino)ethanol
CID 73896908
1-(10-Bromophenanthren-1-yl)-2-(diheptylamino)ethanol
CID 73951438
1-(10-Bromoanthracen-9-yl)-2-(dibutylamino)ethanol
CID 73951461

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromonaphthalen-1-yl)-2-(2-methylphenyl)ethanol?
The IUPAC name of 1-(2-bromonaphthalen-1-yl)-2-(2-methylphenyl)ethanol (CID 135015718) is 1-(2-bromonaphthalen-1-yl)-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-(2-bromonaphthalen-1-yl)-2-(2-methylphenyl)ethanol?
The canonical SMILES for 1-(2-bromonaphthalen-1-yl)-2-(2-methylphenyl)ethanol is Cc1ccccc1CC(O)c1c(Br)ccc2ccccc12.
What is the InChIKey of 1-(2-bromonaphthalen-1-yl)-2-(2-methylphenyl)ethanol?
The InChIKey is JQLQSACSOKJBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO/c1-13-6-2-3-8-15(13)12-18(21)19-16-9-5-4-7-14(16)10-11-17(19)20/h2-11,18,21H,12H2,1H3.
What are the key properties of 1-(2-bromonaphthalen-1-yl)-2-(2-methylphenyl)ethanol?
1-(2-bromonaphthalen-1-yl)-2-(2-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-(2-bromonaphthalen-1-yl)-2-(2-methylphenyl)ethanol is sourced from PubChem (CID 135015718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).