1,2-bis(ethoxymethyl)-3-phenylbenzene

C18H22O2 — CID 67372084

IUPAC1,2-bis(ethoxymethyl)-3-phenylbenzene
SMILESCCOCc1cccc(-c2ccccc2)c1COCC
InChIInChI=1S/C18H22O2/c1-3-19-13-16-11-8-12-17(18(16)14-20-4-2)15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3
InChIKeyBVRLPZJHUMBNDU-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.43
Rot. Bonds7

About 1,2-bis(ethoxymethyl)-3-phenylbenzene

1,2-bis(ethoxymethyl)-3-phenylbenzene (PubChem CID 67372084) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1,2-bis(ethoxymethyl)-3-phenylbenzene.

Molecular Properties

Compound Name1,2-bis(ethoxymethyl)-3-phenylbenzene
PubChem CID67372084
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1,2-bis(ethoxymethyl)-3-phenylbenzene
SMILESCCOCc1cccc(-c2ccccc2)c1COCC
InChIInChI=1S/C18H22O2/c1-3-19-13-16-11-8-12-17(18(16)14-20-4-2)15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3
InChIKeyBVRLPZJHUMBNDU-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethoxymethyl)-3-phenylbenzene?
The IUPAC name of 1,2-bis(ethoxymethyl)-3-phenylbenzene (CID 67372084) is 1,2-bis(ethoxymethyl)-3-phenylbenzene.
What is the SMILES notation for 1,2-bis(ethoxymethyl)-3-phenylbenzene?
The canonical SMILES for 1,2-bis(ethoxymethyl)-3-phenylbenzene is CCOCc1cccc(-c2ccccc2)c1COCC.
What is the InChIKey of 1,2-bis(ethoxymethyl)-3-phenylbenzene?
The InChIKey is BVRLPZJHUMBNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-19-13-16-11-8-12-17(18(16)14-20-4-2)15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 1,2-bis(ethoxymethyl)-3-phenylbenzene?
1,2-bis(ethoxymethyl)-3-phenylbenzene has a molecular weight of 270.37 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethoxymethyl)-3-phenylbenzene is sourced from PubChem (CID 67372084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).