1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene

C14H12Cl2O — CID 29299545

IUPAC1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
SMILESClCc1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C14H12Cl2O/c15-9-11-4-3-6-13(8-11)17-10-12-5-1-2-7-14(12)16/h1-8H,9-10H2
InChIKeyMHGQJLQRMZSROZ-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.66
Rot. Bonds4

About 1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene

1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene (PubChem CID 29299545) has the molecular formula C14H12Cl2O and a molecular weight of 267.16 g/mol. Its IUPAC name is 1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
PubChem CID29299545
Molecular FormulaC14H12Cl2O
Molecular Weight267.16 g/mol
Exact Mass266.03
IUPAC Name1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
SMILESClCc1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C14H12Cl2O/c15-9-11-4-3-6-13(8-11)17-10-12-5-1-2-7-14(12)16/h1-8H,9-10H2
InChIKeyMHGQJLQRMZSROZ-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.66
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

1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 102856363
1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 28543153
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694
2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
CID 112652526
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721454
1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene
CID 43658993
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290789
3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290892
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene?
The IUPAC name of 1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene (CID 29299545) is 1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene?
The canonical SMILES for 1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene is ClCc1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene?
The InChIKey is MHGQJLQRMZSROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O/c15-9-11-4-3-6-13(8-11)17-10-12-5-1-2-7-14(12)16/h1-8H,9-10H2.
What are the key properties of 1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene?
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene has a molecular weight of 267.16 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene is sourced from PubChem (CID 29299545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).