1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene

C35H32O3 — CID 11202844

IUPAC1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene
SMILESc1ccc(COc2ccc(CCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc2)cc1
InChIInChI=1S/C35H32O3/c1-4-10-29(11-5-1)25-36-33-20-18-28(19-21-33)16-17-32-22-34(37-26-30-12-6-2-7-13-30)24-35(23-32)38-27-31-14-8-3-9-15-31/h1-15,18-24H,16-17,25-27H2
InChIKeyYNNLMQFCPLMSKF-UHFFFAOYSA-N
MW500.64 g/mol
LogP8.21
Rot. Bonds12

About 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene

1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene (PubChem CID 11202844) has the molecular formula C35H32O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene
PubChem CID11202844
Molecular FormulaC35H32O3
Molecular Weight500.64 g/mol
Exact Mass500.24
IUPAC Name1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene
SMILESc1ccc(COc2ccc(CCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc2)cc1
InChIInChI=1S/C35H32O3/c1-4-10-29(11-5-1)25-36-33-20-18-28(19-21-33)16-17-32-22-34(37-26-30-12-6-2-7-13-30)24-35(23-32)38-27-31-14-8-3-9-15-31/h1-15,18-24H,16-17,25-27H2
InChIKeyYNNLMQFCPLMSKF-UHFFFAOYSA-N
XLogP8.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene?
The IUPAC name of 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene (CID 11202844) is 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene?
The canonical SMILES for 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene is c1ccc(COc2ccc(CCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc2)cc1.
What is the InChIKey of 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene?
The InChIKey is YNNLMQFCPLMSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32O3/c1-4-10-29(11-5-1)25-36-33-20-18-28(19-21-33)16-17-32-22-34(37-26-30-12-6-2-7-13-30)24-35(23-32)38-27-31-14-8-3-9-15-31/h1-15,18-24H,16-17,25-27H2.
What are the key properties of 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene?
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene has a molecular weight of 500.64 g/mol, XLogP of 8.21, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethyl]benzene is sourced from PubChem (CID 11202844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).