1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene

C18H14Cl2O — CID 43505675

IUPAC1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene
SMILESClCc1c(OCc2cccc(Cl)c2)ccc2ccccc12
InChIInChI=1S/C18H14Cl2O/c19-11-17-16-7-2-1-5-14(16)8-9-18(17)21-12-13-4-3-6-15(20)10-13/h1-10H,11-12H2
InChIKeyZDTZEXRBRMMGME-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.81
Rot. Bonds4

About 1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene

1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene (PubChem CID 43505675) has the molecular formula C18H14Cl2O and a molecular weight of 317.22 g/mol. Its IUPAC name is 1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene.

Molecular Properties

Compound Name1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene
PubChem CID43505675
Molecular FormulaC18H14Cl2O
Molecular Weight317.22 g/mol
Exact Mass316.04
IUPAC Name1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene
SMILESClCc1c(OCc2cccc(Cl)c2)ccc2ccccc12
InChIInChI=1S/C18H14Cl2O/c19-11-17-16-7-2-1-5-14(16)8-9-18(17)21-12-13-4-3-6-15(20)10-13/h1-10H,11-12H2
InChIKeyZDTZEXRBRMMGME-UHFFFAOYSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methanamine
CID 43505452
[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol
CID 43505743
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
4-bromo-2-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]thiophene
CID 63534351
(2R)-2-[[2-[(3-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51992328
2-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]ethanamine
CID 20985453
1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 43505685
[4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol
CID 65126437
2-(2-phenylmethoxynaphthalen-1-yl)ethanamine
CID 60905443
2,5-bis[(3-chlorophenyl)methoxy]phenol
CID 139941886
1-(chloromethyl)-2-(4-methoxybutoxy)naphthalene
CID 104648105

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene?
The IUPAC name of 1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene (CID 43505675) is 1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene.
What is the SMILES notation for 1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene?
The canonical SMILES for 1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene is ClCc1c(OCc2cccc(Cl)c2)ccc2ccccc12.
What is the InChIKey of 1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene?
The InChIKey is ZDTZEXRBRMMGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2O/c19-11-17-16-7-2-1-5-14(16)8-9-18(17)21-12-13-4-3-6-15(20)10-13/h1-10H,11-12H2.
What are the key properties of 1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene?
1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene has a molecular weight of 317.22 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene is sourced from PubChem (CID 43505675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).