1-(1-bromo-2-phenylethyl)-2-methoxybenzene

C15H15BrO — CID 63017425

IUPAC1-(1-bromo-2-phenylethyl)-2-methoxybenzene
SMILESCOc1ccccc1C(Br)Cc1ccccc1
InChIInChI=1S/C15H15BrO/c1-17-15-10-6-5-9-13(15)14(16)11-12-7-3-2-4-8-12/h2-10,14H,11H2,1H3
InChIKeyPDKTXOYDCCVNLZ-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.37
Rot. Bonds4

About 1-(1-bromo-2-phenylethyl)-2-methoxybenzene

1-(1-bromo-2-phenylethyl)-2-methoxybenzene (PubChem CID 63017425) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-(1-bromo-2-phenylethyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(1-bromo-2-phenylethyl)-2-methoxybenzene
PubChem CID63017425
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name1-(1-bromo-2-phenylethyl)-2-methoxybenzene
SMILESCOc1ccccc1C(Br)Cc1ccccc1
InChIInChI=1S/C15H15BrO/c1-17-15-10-6-5-9-13(15)14(16)11-12-7-3-2-4-8-12/h2-10,14H,11H2,1H3
InChIKeyPDKTXOYDCCVNLZ-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine
CID 66453972
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63018011
4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63543083
1-(1-bromo-2-phenylethyl)-2-methylbenzene
CID 63529712
1-(1-bromo-2-phenylethyl)-2-methylsulfanylbenzene
CID 79206101
1-(1-bromo-2-phenylethyl)-2-iodobenzene
CID 63529217
4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene
CID 63443048
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029621
1-(3-bromobutan-2-yl)-2-methoxybenzene
CID 66469864
1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene
CID 121269535
(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
CID 129386979
1-(2-methoxyphenyl)-2-(4-methylphenyl)ethanol
CID 15638774

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-phenylethyl)-2-methoxybenzene?
The IUPAC name of 1-(1-bromo-2-phenylethyl)-2-methoxybenzene (CID 63017425) is 1-(1-bromo-2-phenylethyl)-2-methoxybenzene.
What is the SMILES notation for 1-(1-bromo-2-phenylethyl)-2-methoxybenzene?
The canonical SMILES for 1-(1-bromo-2-phenylethyl)-2-methoxybenzene is COc1ccccc1C(Br)Cc1ccccc1.
What is the InChIKey of 1-(1-bromo-2-phenylethyl)-2-methoxybenzene?
The InChIKey is PDKTXOYDCCVNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-17-15-10-6-5-9-13(15)14(16)11-12-7-3-2-4-8-12/h2-10,14H,11H2,1H3.
What are the key properties of 1-(1-bromo-2-phenylethyl)-2-methoxybenzene?
1-(1-bromo-2-phenylethyl)-2-methoxybenzene has a molecular weight of 291.19 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-phenylethyl)-2-methoxybenzene is sourced from PubChem (CID 63017425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).