1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene

C22H22O2 — CID 11973927

IUPAC1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene
SMILESCOc1cccc(CCc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C22H22O2/c1-23-21-12-7-10-18(16-21)14-15-20-11-5-6-13-22(20)24-17-19-8-3-2-4-9-19/h2-13,16H,14-15,17H2,1H3
InChIKeySDDBNQDQBZPCGB-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.06
Rot. Bonds7

About 1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene

1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene (PubChem CID 11973927) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene
PubChem CID11973927
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene
SMILESCOc1cccc(CCc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C22H22O2/c1-23-21-12-7-10-18(16-21)14-15-20-11-5-6-13-22(20)24-17-19-8-3-2-4-9-19/h2-13,16H,14-15,17H2,1H3
InChIKeySDDBNQDQBZPCGB-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene?
The IUPAC name of 1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene (CID 11973927) is 1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene is COc1cccc(CCc2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene?
The InChIKey is SDDBNQDQBZPCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-23-21-12-7-10-18(16-21)14-15-20-11-5-6-13-22(20)24-17-19-8-3-2-4-9-19/h2-13,16H,14-15,17H2,1H3.
What are the key properties of 1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene?
1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene has a molecular weight of 318.42 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-(2-phenylmethoxyphenyl)ethyl]benzene is sourced from PubChem (CID 11973927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).