1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene

C19H17BrO — CID 81429056

IUPAC1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene
SMILESCOc1ccc(C(Br)c2c(C)ccc3ccccc23)cc1
InChIInChI=1S/C19H17BrO/c1-13-7-8-14-5-3-4-6-17(14)18(13)19(20)15-9-11-16(21-2)12-10-15/h3-12,19H,1-2H3
InChIKeyOLRLHBGKEMGKJR-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.64
Rot. Bonds3

About 1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene

1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene (PubChem CID 81429056) has the molecular formula C19H17BrO and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene.

Molecular Properties

Compound Name1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene
PubChem CID81429056
Molecular FormulaC19H17BrO
Molecular Weight341.25 g/mol
Exact Mass340.05
IUPAC Name1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene
SMILESCOc1ccc(C(Br)c2c(C)ccc3ccccc23)cc1
InChIInChI=1S/C19H17BrO/c1-13-7-8-14-5-3-4-6-17(14)18(13)19(20)15-9-11-16(21-2)12-10-15/h3-12,19H,1-2H3
InChIKeyOLRLHBGKEMGKJR-UHFFFAOYSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.64
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

1-[bromo-(4-bromo-3-fluorophenyl)methyl]-2-methylnaphthalene
CID 81430765
1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene
CID 107992100
1-(1-bromo-2-methylbutyl)-2-methylnaphthalene
CID 81431739
1-[1-(4-methoxyphenyl)ethyl]naphthalen-2-ol
CID 101441341
1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 51340411
1-[bromo-(5-chloro-2-methylphenyl)methyl]-2-methylnaphthalene
CID 82874592
2-[bromo(phenyl)methyl]-6-methoxynaphthalene
CID 63444351
(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol
CID 99714820
(R)-(4-amino-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanol
CID 100804222
1-[bromo-(2,3-difluorophenyl)methyl]-2-methylnaphthalene
CID 81430617
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene
CID 102295404

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene?
The IUPAC name of 1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene (CID 81429056) is 1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene.
What is the SMILES notation for 1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene?
The canonical SMILES for 1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene is COc1ccc(C(Br)c2c(C)ccc3ccccc23)cc1.
What is the InChIKey of 1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene?
The InChIKey is OLRLHBGKEMGKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO/c1-13-7-8-14-5-3-4-6-17(14)18(13)19(20)15-9-11-16(21-2)12-10-15/h3-12,19H,1-2H3.
What are the key properties of 1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene?
1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene has a molecular weight of 341.25 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(4-methoxyphenyl)methyl]-2-methylnaphthalene is sourced from PubChem (CID 81429056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).