1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene

C18H14BrClO — CID 63534211

IUPAC1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene
SMILESClc1cc(CBr)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C18H14BrClO/c19-11-13-8-9-18(17(20)10-13)21-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-10H,11-12H2
InChIKeyPXCGIBLQHPSLAO-UHFFFAOYSA-N
MW361.67 g/mol
LogP5.97
Rot. Bonds4

About 1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene

1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene (PubChem CID 63534211) has the molecular formula C18H14BrClO and a molecular weight of 361.67 g/mol. Its IUPAC name is 1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene.

Molecular Properties

Compound Name1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene
PubChem CID63534211
Molecular FormulaC18H14BrClO
Molecular Weight361.67 g/mol
Exact Mass359.99
IUPAC Name1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene
SMILESClc1cc(CBr)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C18H14BrClO/c19-11-13-8-9-18(17(20)10-13)21-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-10H,11-12H2
InChIKeyPXCGIBLQHPSLAO-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.67
LogP ≤ 55.97
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

8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline
CID 63536066
3-chloro-4-(naphthalen-1-ylmethoxy)benzoyl chloride
CID 91683497
N-[[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,4-dimethylaniline
CID 126125999
1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-2-fluoro-3-nitrobenzene
CID 107349917
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126206998
1-[(4-bromo-2-fluorophenyl)methoxy]-4-(bromomethyl)-2-chlorobenzene
CID 63534537
4-(bromomethyl)-2-chloro-1-(3-phenylpropoxy)benzene
CID 63535725
1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene
CID 107306903
3-bromo-4-(naphthalen-1-ylmethoxy)benzoyl chloride
CID 91683499
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126222826
N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126217246
1-[(2,5-dimethylphenoxy)methyl]naphthalene
CID 78906369

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene?
The IUPAC name of 1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene (CID 63534211) is 1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene.
What is the SMILES notation for 1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene?
The canonical SMILES for 1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene is Clc1cc(CBr)ccc1OCc1cccc2ccccc12.
What is the InChIKey of 1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene?
The InChIKey is PXCGIBLQHPSLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClO/c19-11-13-8-9-18(17(20)10-13)21-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-10H,11-12H2.
What are the key properties of 1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene?
1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene has a molecular weight of 361.67 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene is sourced from PubChem (CID 63534211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).