1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene

C17H18Cl2O2 — CID 63536847

IUPAC1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene
SMILESCOc1cc(CCl)cc(Cl)c1OCc1cc(C)cc(C)c1
InChIInChI=1S/C17H18Cl2O2/c1-11-4-12(2)6-14(5-11)10-21-17-15(19)7-13(9-18)8-16(17)20-3/h4-8H,9-10H2,1-3H3
InChIKeyPMUNHVVPRRXOLL-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.28
Rot. Bonds5

About 1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene

1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene (PubChem CID 63536847) has the molecular formula C17H18Cl2O2 and a molecular weight of 325.24 g/mol. Its IUPAC name is 1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene.

Molecular Properties

Compound Name1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene
PubChem CID63536847
Molecular FormulaC17H18Cl2O2
Molecular Weight325.24 g/mol
Exact Mass324.07
IUPAC Name1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene
SMILESCOc1cc(CCl)cc(Cl)c1OCc1cc(C)cc(C)c1
InChIInChI=1S/C17H18Cl2O2/c1-11-4-12(2)6-14(5-11)10-21-17-15(19)7-13(9-18)8-16(17)20-3/h4-8H,9-10H2,1-3H3
InChIKeyPMUNHVVPRRXOLL-UHFFFAOYSA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 28898530
2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene
CID 28898512
1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methylphenyl)methoxy]benzene
CID 43622701
1-chloro-5-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65460365
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17055649
1-(chloromethyl)-3,5-dimethylbenzene;silane
CID 160884326
5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene
CID 43516801
5-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]pentanenitrile
CID 54966217
[4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
CID 79698183
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723997
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17055581
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 17055614

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene?
The IUPAC name of 1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene (CID 63536847) is 1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene.
What is the SMILES notation for 1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene?
The canonical SMILES for 1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene is COc1cc(CCl)cc(Cl)c1OCc1cc(C)cc(C)c1.
What is the InChIKey of 1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene?
The InChIKey is PMUNHVVPRRXOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O2/c1-11-4-12(2)6-14(5-11)10-21-17-15(19)7-13(9-18)8-16(17)20-3/h4-8H,9-10H2,1-3H3.
What are the key properties of 1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene?
1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene has a molecular weight of 325.24 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(chloromethyl)-2-[(3,5-dimethylphenyl)methoxy]-3-methoxybenzene is sourced from PubChem (CID 63536847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).