1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene

C15H15ClO — CID 139783767

IUPAC1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene
SMILESCOCc1ccccc1-c1ccccc1CCl
InChIInChI=1S/C15H15ClO/c1-17-11-13-7-3-5-9-15(13)14-8-4-2-6-12(14)10-16/h2-9H,10-11H2,1H3
InChIKeyTZKXJMPODSZZIJ-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.24
Rot. Bonds4

About 1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene

1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene (PubChem CID 139783767) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene
PubChem CID139783767
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene
SMILESCOCc1ccccc1-c1ccccc1CCl
InChIInChI=1S/C15H15ClO/c1-17-11-13-7-3-5-9-15(13)14-8-4-2-6-12(14)10-16/h2-9H,10-11H2,1H3
InChIKeyTZKXJMPODSZZIJ-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.24
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-[2-(methoxymethyl)phenyl]benzamide
CID 130398791
1-fluoro-4-[2-(methoxymethyl)phenyl]benzene
CID 59165552
3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride
CID 156692785
4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117309638
CID 123655745
CID 123655745
1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene
CID 43840277
[2-[2-(methoxymethyl)-6-phosphanylphenyl]phenyl]phosphane
CID 70841120
1,8-bis(methoxymethyl)-9H-fluorene
CID 176835432
4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene
CID 162435461
3-[2-(methoxymethyl)phenyl]pyrazin-2-amine
CID 112559107
1-[5-[2-(methoxymethyl)phenyl]furan-2-yl]propan-1-amine
CID 62633129
4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene
CID 126696020

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene?
The IUPAC name of 1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene (CID 139783767) is 1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene.
What is the SMILES notation for 1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene?
The canonical SMILES for 1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene is COCc1ccccc1-c1ccccc1CCl.
What is the InChIKey of 1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene?
The InChIKey is TZKXJMPODSZZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-17-11-13-7-3-5-9-15(13)14-8-4-2-6-12(14)10-16/h2-9H,10-11H2,1H3.
What are the key properties of 1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene?
1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene has a molecular weight of 246.74 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene is sourced from PubChem (CID 139783767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).