2-[chloro(phenylmethoxy)methyl]naphthalene

C18H15ClO — CID 174397754

IUPAC2-[chloro(phenylmethoxy)methyl]naphthalene
SMILESClC(OCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H15ClO/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12,18H,13H2
InChIKeyYZKMZNRVVDVAMX-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.29
Rot. Bonds4

About 2-[chloro(phenylmethoxy)methyl]naphthalene

2-[chloro(phenylmethoxy)methyl]naphthalene (PubChem CID 174397754) has the molecular formula C18H15ClO and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[chloro(phenylmethoxy)methyl]naphthalene.

Molecular Properties

Compound Name2-[chloro(phenylmethoxy)methyl]naphthalene
PubChem CID174397754
Molecular FormulaC18H15ClO
Molecular Weight282.77 g/mol
Exact Mass282.08
IUPAC Name2-[chloro(phenylmethoxy)methyl]naphthalene
SMILESClC(OCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H15ClO/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12,18H,13H2
InChIKeyYZKMZNRVVDVAMX-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.77
LogP ≤ 55.29
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

(2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile
CID 94037815
1-[chloro(phenylmethoxy)methyl]-3-fluorobenzene
CID 69109634
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
1-chloroethoxymethylbenzene
CID 12510706
1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene
CID 57023447
naphthalen-2-ol;phenylmethoxymethylbenzene
CID 18786875
2-(2-methoxy-1-naphthalen-2-ylethyl)naphthalene
CID 3646227
benzhydryloxymethylbenzene
CID 11437288
2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene
CID 63542658
2-[1-(4-methylphenyl)-2-phenylethyl]naphthalene
CID 19077007
1-naphthalen-2-yl-4-phenylbutan-1-amine
CID 63416758
2-(4-chloropentan-2-yl)naphthalene
CID 64719465

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(phenylmethoxy)methyl]naphthalene?
The IUPAC name of 2-[chloro(phenylmethoxy)methyl]naphthalene (CID 174397754) is 2-[chloro(phenylmethoxy)methyl]naphthalene.
What is the SMILES notation for 2-[chloro(phenylmethoxy)methyl]naphthalene?
The canonical SMILES for 2-[chloro(phenylmethoxy)methyl]naphthalene is ClC(OCc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[chloro(phenylmethoxy)methyl]naphthalene?
The InChIKey is YZKMZNRVVDVAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12,18H,13H2.
What are the key properties of 2-[chloro(phenylmethoxy)methyl]naphthalene?
2-[chloro(phenylmethoxy)methyl]naphthalene has a molecular weight of 282.77 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(phenylmethoxy)methyl]naphthalene is sourced from PubChem (CID 174397754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).