2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene

C18H14BrClO — CID 63443947

IUPAC2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(Cl)c3cccc(Br)c3)ccc2c1
InChIInChI=1S/C18H14BrClO/c1-21-17-8-7-12-9-15(6-5-13(12)11-17)18(20)14-3-2-4-16(19)10-14/h2-11,18H,1H3
InChIKeyBZEVRSLRJKFYIU-UHFFFAOYSA-N
MW361.67 g/mol
LogP5.94
Rot. Bonds3

About 2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene

2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene (PubChem CID 63443947) has the molecular formula C18H14BrClO and a molecular weight of 361.67 g/mol. Its IUPAC name is 2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene.

Molecular Properties

Compound Name2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene
PubChem CID63443947
Molecular FormulaC18H14BrClO
Molecular Weight361.67 g/mol
Exact Mass359.99
IUPAC Name2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(Cl)c3cccc(Br)c3)ccc2c1
InChIInChI=1S/C18H14BrClO/c1-21-17-8-7-12-9-15(6-5-13(12)11-17)18(20)14-3-2-4-16(19)10-14/h2-11,18H,1H3
InChIKeyBZEVRSLRJKFYIU-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.67
LogP ≤ 55.94
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

(S)-(3-bromophenyl)-(4-methoxyphenyl)methanol
CID 93325981
1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene
CID 61081166
2-[bromo(phenyl)methyl]-6-methoxynaphthalene
CID 63444351
2-bromo-6-[(4-bromophenyl)-chloromethyl]naphthalene
CID 115354314
1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 54856242
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
2-bromo-4-[(3-bromophenyl)-chloromethyl]-1-fluorobenzene
CID 79747210
4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427198
4-[chloro-(4-methoxyphenyl)methyl]-1,2-dimethylbenzene
CID 63427206
1-bromo-2-[(3-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432172
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]naphthalene
CID 63427689
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene?
The IUPAC name of 2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene (CID 63443947) is 2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene.
What is the SMILES notation for 2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene?
The canonical SMILES for 2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene is COc1ccc2cc(C(Cl)c3cccc(Br)c3)ccc2c1.
What is the InChIKey of 2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene?
The InChIKey is BZEVRSLRJKFYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClO/c1-21-17-8-7-12-9-15(6-5-13(12)11-17)18(20)14-3-2-4-16(19)10-14/h2-11,18H,1H3.
What are the key properties of 2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene?
2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene has a molecular weight of 361.67 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene is sourced from PubChem (CID 63443947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).