1-chloro-3-phenylmethoxybenzene

C13H11ClO — CID 13702

IUPAC1-chloro-3-phenylmethoxybenzene
SMILESClc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C13H11ClO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyWIJUFHLXUSIELP-UHFFFAOYSA-N
MW218.68 g/mol
LogP3.92
Rot. Bonds3

About 1-chloro-3-phenylmethoxybenzene

1-chloro-3-phenylmethoxybenzene (PubChem CID 13702) has the molecular formula C13H11ClO and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-chloro-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-chloro-3-phenylmethoxybenzene
PubChem CID13702
Molecular FormulaC13H11ClO
Molecular Weight218.68 g/mol
Exact Mass218.05
IUPAC Name1-chloro-3-phenylmethoxybenzene
SMILESClc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C13H11ClO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyWIJUFHLXUSIELP-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-phenylmethoxybenzene?
The IUPAC name of 1-chloro-3-phenylmethoxybenzene (CID 13702) is 1-chloro-3-phenylmethoxybenzene.
What is the SMILES notation for 1-chloro-3-phenylmethoxybenzene?
The canonical SMILES for 1-chloro-3-phenylmethoxybenzene is Clc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-chloro-3-phenylmethoxybenzene?
The InChIKey is WIJUFHLXUSIELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of 1-chloro-3-phenylmethoxybenzene?
1-chloro-3-phenylmethoxybenzene has a molecular weight of 218.68 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-phenylmethoxybenzene is sourced from PubChem (CID 13702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).