1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene

C18H14Cl2 — CID 81325201

IUPAC1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene
SMILESCc1cc(Cl)cc(C(Cl)c2cccc3ccccc23)c1
InChIInChI=1S/C18H14Cl2/c1-12-9-14(11-15(19)10-12)18(20)17-8-4-6-13-5-2-3-7-16(13)17/h2-11,18H,1H3
InChIKeyYCOPCUHAQZDJEX-UHFFFAOYSA-N
MW301.22 g/mol
LogP6.13
Rot. Bonds2

About 1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene

1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene (PubChem CID 81325201) has the molecular formula C18H14Cl2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene
PubChem CID81325201
Molecular FormulaC18H14Cl2
Molecular Weight301.22 g/mol
Exact Mass300.05
IUPAC Name1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene
SMILESCc1cc(Cl)cc(C(Cl)c2cccc3ccccc23)c1
InChIInChI=1S/C18H14Cl2/c1-12-9-14(11-15(19)10-12)18(20)17-8-4-6-13-5-2-3-7-16(13)17/h2-11,18H,1H3
InChIKeyYCOPCUHAQZDJEX-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.22
LogP ≤ 56.13
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

1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991910
1-[chloro-(4-fluoro-3-methoxyphenyl)methyl]naphthalene
CID 81289253
1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene
CID 79596980
3-[chloro(naphthalen-1-yl)methyl]-2,5-dimethylthiophene
CID 63431997
1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene
CID 79754944
(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
CID 94549161
(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54381200
(3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol
CID 81317253
1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene
CID 81324901
1-[(2-bromo-4-methoxyphenyl)-chloromethyl]-3-chloro-5-methylbenzene
CID 81324400
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
1-[bromo(phenyl)methyl]-3-chloro-5-methylbenzene
CID 81324401

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene?
The IUPAC name of 1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene (CID 81325201) is 1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene.
What is the SMILES notation for 1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene?
The canonical SMILES for 1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene is Cc1cc(Cl)cc(C(Cl)c2cccc3ccccc23)c1.
What is the InChIKey of 1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene?
The InChIKey is YCOPCUHAQZDJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2/c1-12-9-14(11-15(19)10-12)18(20)17-8-4-6-13-5-2-3-7-16(13)17/h2-11,18H,1H3.
What are the key properties of 1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene?
1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene has a molecular weight of 301.22 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene is sourced from PubChem (CID 81325201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).