1,3-dichloro-5-phenylmethoxybenzene

C13H10Cl2O — CID 10988792

IUPAC1,3-dichloro-5-phenylmethoxybenzene
SMILESClc1cc(Cl)cc(OCc2ccccc2)c1
InChIInChI=1S/C13H10Cl2O/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyLZWVTQKAHFBVJA-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.57
Rot. Bonds3

About 1,3-dichloro-5-phenylmethoxybenzene

1,3-dichloro-5-phenylmethoxybenzene (PubChem CID 10988792) has the molecular formula C13H10Cl2O and a molecular weight of 253.13 g/mol. Its IUPAC name is 1,3-dichloro-5-phenylmethoxybenzene.

Molecular Properties

Compound Name1,3-dichloro-5-phenylmethoxybenzene
PubChem CID10988792
Molecular FormulaC13H10Cl2O
Molecular Weight253.13 g/mol
Exact Mass252.01
IUPAC Name1,3-dichloro-5-phenylmethoxybenzene
SMILESClc1cc(Cl)cc(OCc2ccccc2)c1
InChIInChI=1S/C13H10Cl2O/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyLZWVTQKAHFBVJA-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-phenylmethoxybenzene?
The IUPAC name of 1,3-dichloro-5-phenylmethoxybenzene (CID 10988792) is 1,3-dichloro-5-phenylmethoxybenzene.
What is the SMILES notation for 1,3-dichloro-5-phenylmethoxybenzene?
The canonical SMILES for 1,3-dichloro-5-phenylmethoxybenzene is Clc1cc(Cl)cc(OCc2ccccc2)c1.
What is the InChIKey of 1,3-dichloro-5-phenylmethoxybenzene?
The InChIKey is LZWVTQKAHFBVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1,3-dichloro-5-phenylmethoxybenzene?
1,3-dichloro-5-phenylmethoxybenzene has a molecular weight of 253.13 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-phenylmethoxybenzene is sourced from PubChem (CID 10988792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).