2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene

C15H14Cl2O — CID 63535207

IUPAC2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
SMILESCc1ccc(COc2ccc(CCl)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2O/c1-11-2-4-12(5-3-11)10-18-15-7-6-13(9-16)8-14(15)17/h2-8H,9-10H2,1H3
InChIKeyQNLSSVGLZKGTAE-UHFFFAOYSA-N
MW281.18 g/mol
LogP4.97
Rot. Bonds4

About 2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene

2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene (PubChem CID 63535207) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
PubChem CID63535207
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
SMILESCc1ccc(COc2ccc(CCl)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2O/c1-11-2-4-12(5-3-11)10-18-15-7-6-13(9-16)8-14(15)17/h2-8H,9-10H2,1H3
InChIKeyQNLSSVGLZKGTAE-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 54.97
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

2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 63536063
2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62697877
4-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 59391367
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
[3-chloro-4-[(3,5-dimethylphenyl)methoxy]phenyl]methanamine
CID 54983856
N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline
CID 126118107
4-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62126933
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
5-chloro-2-[(4-methylphenyl)methoxy]aniline
CID 19624539
1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene
CID 29009783
2-bromo-4-(chloromethyl)-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63536071
2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593167

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene?
The IUPAC name of 2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene (CID 63535207) is 2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene?
The canonical SMILES for 2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene is Cc1ccc(COc2ccc(CCl)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene?
The InChIKey is QNLSSVGLZKGTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c1-11-2-4-12(5-3-11)10-18-15-7-6-13(9-16)8-14(15)17/h2-8H,9-10H2,1H3.
What are the key properties of 2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene?
2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene has a molecular weight of 281.18 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene is sourced from PubChem (CID 63535207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).