4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene

C14H12Cl2O2 — CID 64764179

IUPAC4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1COc1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2O2/c1-17-14-6-5-12(16)7-10(14)9-18-13-4-2-3-11(15)8-13/h2-8H,9H2,1H3
InChIKeyDXKWZUYYBWBOBW-UHFFFAOYSA-N
MW283.15 g/mol
LogP4.58
Rot. Bonds4

About 4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene

4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene (PubChem CID 64764179) has the molecular formula C14H12Cl2O2 and a molecular weight of 283.15 g/mol. Its IUPAC name is 4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
PubChem CID64764179
Molecular FormulaC14H12Cl2O2
Molecular Weight283.15 g/mol
Exact Mass282.02
IUPAC Name4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1COc1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2O2/c1-17-14-6-5-12(16)7-10(14)9-18-13-4-2-3-11(15)8-13/h2-8H,9H2,1H3
InChIKeyDXKWZUYYBWBOBW-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 43424347
4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile
CID 78952742
(1R)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364799
[3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951928
(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78936759
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631
4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
CID 60666586
6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63096617
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105140888

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene?
The IUPAC name of 4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene (CID 64764179) is 4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene is COc1ccc(Cl)cc1COc1cccc(Cl)c1.
What is the InChIKey of 4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene?
The InChIKey is DXKWZUYYBWBOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2/c1-17-14-6-5-12(16)7-10(14)9-18-13-4-2-3-11(15)8-13/h2-8H,9H2,1H3.
What are the key properties of 4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene?
4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene has a molecular weight of 283.15 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene is sourced from PubChem (CID 64764179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).