1-(1-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol

C19H17BrO — CID 135015642

IUPAC1-(1-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol
SMILESCc1cc(C(O)Cc2ccccc2)c(Br)c2ccccc12
InChIInChI=1S/C19H17BrO/c1-13-11-17(18(21)12-14-7-3-2-4-8-14)19(20)16-10-6-5-9-15(13)16/h2-11,18,21H,12H2,1H3
InChIKeyARAMPBBPQDQQTQ-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.19
Rot. Bonds3

About 1-(1-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol

1-(1-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol (PubChem CID 135015642) has the molecular formula C19H17BrO and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(1-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(1-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol
PubChem CID135015642
Molecular FormulaC19H17BrO
Molecular Weight341.25 g/mol
Exact Mass340.05
IUPAC Name1-(1-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol
SMILESCc1cc(C(O)Cc2ccccc2)c(Br)c2ccccc12
InChIInChI=1S/C19H17BrO/c1-13-11-17(18(21)12-14-7-3-2-4-8-14)19(20)16-10-6-5-9-15(13)16/h2-11,18,21H,12H2,1H3
InChIKeyARAMPBBPQDQQTQ-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-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol?
The IUPAC name of 1-(1-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol (CID 135015642) is 1-(1-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol.
What is the SMILES notation for 1-(1-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol?
The canonical SMILES for 1-(1-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol is Cc1cc(C(O)Cc2ccccc2)c(Br)c2ccccc12.
What is the InChIKey of 1-(1-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol?
The InChIKey is ARAMPBBPQDQQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO/c1-13-11-17(18(21)12-14-7-3-2-4-8-14)19(20)16-10-6-5-9-15(13)16/h2-11,18,21H,12H2,1H3.
What are the key properties of 1-(1-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol?
1-(1-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol 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-bromo-4-methylnaphthalen-2-yl)-2-phenylethanol is sourced from PubChem (CID 135015642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).