1-(chloromethyl)-3-phenylnaphthalene

C17H13Cl — CID 21283572

IUPAC1-(chloromethyl)-3-phenylnaphthalene
SMILESClCc1cc(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C17H13Cl/c18-12-16-11-15(13-6-2-1-3-7-13)10-14-8-4-5-9-17(14)16/h1-11H,12H2
InChIKeyCVYNVAWFLLYMNL-UHFFFAOYSA-N
MW252.74 g/mol
LogP5.25
Rot. Bonds2

About 1-(chloromethyl)-3-phenylnaphthalene

1-(chloromethyl)-3-phenylnaphthalene (PubChem CID 21283572) has the molecular formula C17H13Cl and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(chloromethyl)-3-phenylnaphthalene.

Molecular Properties

Compound Name1-(chloromethyl)-3-phenylnaphthalene
PubChem CID21283572
Molecular FormulaC17H13Cl
Molecular Weight252.74 g/mol
Exact Mass252.07
IUPAC Name1-(chloromethyl)-3-phenylnaphthalene
SMILESClCc1cc(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C17H13Cl/c18-12-16-11-15(13-6-2-1-3-7-13)10-14-8-4-5-9-17(14)16/h1-11H,12H2
InChIKeyCVYNVAWFLLYMNL-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.74
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylnaphthalen-1-yl)ethanamine
CID 22133309
2-(3-chloro-5-phenylphenyl)phenanthrene
CID 156891659
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
1-ethyl-7-naphthalen-1-yl-3-phenylnaphthalene
CID 145347928
2,8-diphenylperylene
CID 59642615
1-(chloromethyl)anthracene
CID 18004230
3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene
CID 163458233
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
1,3-diphenylphenanthrene
CID 13011098
9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 59557528

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-phenylnaphthalene?
The IUPAC name of 1-(chloromethyl)-3-phenylnaphthalene (CID 21283572) is 1-(chloromethyl)-3-phenylnaphthalene.
What is the SMILES notation for 1-(chloromethyl)-3-phenylnaphthalene?
The canonical SMILES for 1-(chloromethyl)-3-phenylnaphthalene is ClCc1cc(-c2ccccc2)cc2ccccc12.
What is the InChIKey of 1-(chloromethyl)-3-phenylnaphthalene?
The InChIKey is CVYNVAWFLLYMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl/c18-12-16-11-15(13-6-2-1-3-7-13)10-14-8-4-5-9-17(14)16/h1-11H,12H2.
What are the key properties of 1-(chloromethyl)-3-phenylnaphthalene?
1-(chloromethyl)-3-phenylnaphthalene has a molecular weight of 252.74 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-phenylnaphthalene is sourced from PubChem (CID 21283572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).