1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene

C15H15ClO2 — CID 134244114

IUPAC1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene
SMILESCOc1cc(COc2ccc(C)cc2)ccc1Cl
InChIInChI=1S/C15H15ClO2/c1-11-3-6-13(7-4-11)18-10-12-5-8-14(16)15(9-12)17-2/h3-9H,10H2,1-2H3
InChIKeyPCTVYFNEGRGMOU-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.24
Rot. Bonds4

About 1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene

1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene (PubChem CID 134244114) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene
PubChem CID134244114
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene
SMILESCOc1cc(COc2ccc(C)cc2)ccc1Cl
InChIInChI=1S/C15H15ClO2/c1-11-3-6-13(7-4-11)18-10-12-5-8-14(16)15(9-12)17-2/h3-9H,10H2,1-2H3
InChIKeyPCTVYFNEGRGMOU-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[(4-methylphenoxy)methyl]benzoic acid
CID 117221957
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene
CID 58627131
2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353296
4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
CID 61400160
[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338262
4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618
2-methoxy-4-[2-(4-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methoxy]benzene
CID 157158831
2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene
CID 90146696
(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
CID 19701901
bis(1-chloro-2-methoxy-4-methylbenzene);ethene;propane
CID 158628534

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene?
The IUPAC name of 1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene (CID 134244114) is 1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene.
What is the SMILES notation for 1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene?
The canonical SMILES for 1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene is COc1cc(COc2ccc(C)cc2)ccc1Cl.
What is the InChIKey of 1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene?
The InChIKey is PCTVYFNEGRGMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-11-3-6-13(7-4-11)18-10-12-5-8-14(16)15(9-12)17-2/h3-9H,10H2,1-2H3.
What are the key properties of 1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene?
1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene has a molecular weight of 262.74 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene is sourced from PubChem (CID 134244114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).