1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene

C25H28O3 — CID 173071394

IUPAC1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
SMILESCCOc1ccccc1C(c1ccccc1OCC)c1ccccc1OCC
InChIInChI=1S/C25H28O3/c1-4-26-22-16-10-7-13-19(22)25(20-14-8-11-17-23(20)27-5-2)21-15-9-12-18-24(21)28-6-3/h7-18,25H,4-6H2,1-3H3
InChIKeyNRVGJHCBUWRAAF-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.06
Rot. Bonds9

About 1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene

1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene (PubChem CID 173071394) has the molecular formula C25H28O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene.

Molecular Properties

Compound Name1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
PubChem CID173071394
Molecular FormulaC25H28O3
Molecular Weight376.50 g/mol
Exact Mass376.20
IUPAC Name1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
SMILESCCOc1ccccc1C(c1ccccc1OCC)c1ccccc1OCC
InChIInChI=1S/C25H28O3/c1-4-26-22-16-10-7-13-19(22)25(20-14-8-11-17-23(20)27-5-2)21-15-9-12-18-24(21)28-6-3/h7-18,25H,4-6H2,1-3H3
InChIKeyNRVGJHCBUWRAAF-UHFFFAOYSA-N
XLogP6.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
2-(2-ethoxyphenyl)-2-fluoroethanol
CID 105425466
2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
CID 23460388
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
2-(2-ethoxyphenyl)-2-fluoroethanamine
CID 112562684
1-(2-ethoxyphenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624872
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
1-(3-bromo-4-methylpentan-2-yl)-2-ethoxybenzene
CID 79299308
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877
1-(2-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115853740

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene?
The IUPAC name of 1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene (CID 173071394) is 1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene.
What is the SMILES notation for 1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene?
The canonical SMILES for 1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene is CCOc1ccccc1C(c1ccccc1OCC)c1ccccc1OCC.
What is the InChIKey of 1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene?
The InChIKey is NRVGJHCBUWRAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O3/c1-4-26-22-16-10-7-13-19(22)25(20-14-8-11-17-23(20)27-5-2)21-15-9-12-18-24(21)28-6-3/h7-18,25H,4-6H2,1-3H3.
What are the key properties of 1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene?
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene has a molecular weight of 376.50 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene is sourced from PubChem (CID 173071394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).