1-(chloromethyl)-3-phenylmethoxybenzene

C14H13ClO — CID 13173490

IUPAC1-(chloromethyl)-3-phenylmethoxybenzene
SMILESClCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C14H13ClO/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKeyMKXVKELDRLNWGV-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.00
Rot. Bonds4

About 1-(chloromethyl)-3-phenylmethoxybenzene

1-(chloromethyl)-3-phenylmethoxybenzene (PubChem CID 13173490) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-(chloromethyl)-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-phenylmethoxybenzene
PubChem CID13173490
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name1-(chloromethyl)-3-phenylmethoxybenzene
SMILESClCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C14H13ClO/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKeyMKXVKELDRLNWGV-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 54.00
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-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 28543153
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-phenylmethoxy-3-propylbenzene
CID 58977798
CID 57452903
CID 57452903
1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene
CID 43658993
3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine
CID 102881690
3-bromo-5-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 104798995
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
CID 57238609
CID 57238609

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-phenylmethoxybenzene?
The IUPAC name of 1-(chloromethyl)-3-phenylmethoxybenzene (CID 13173490) is 1-(chloromethyl)-3-phenylmethoxybenzene.
What is the SMILES notation for 1-(chloromethyl)-3-phenylmethoxybenzene?
The canonical SMILES for 1-(chloromethyl)-3-phenylmethoxybenzene is ClCc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-(chloromethyl)-3-phenylmethoxybenzene?
The InChIKey is MKXVKELDRLNWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9H,10-11H2.
What are the key properties of 1-(chloromethyl)-3-phenylmethoxybenzene?
1-(chloromethyl)-3-phenylmethoxybenzene has a molecular weight of 232.71 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-phenylmethoxybenzene is sourced from PubChem (CID 13173490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).