2,4-diethoxy-1-phenylbenzene

C16H18O2 — CID 132889855

IUPAC2,4-diethoxy-1-phenylbenzene
SMILESCCOc1ccc(-c2ccccc2)c(OCC)c1
InChIInChI=1S/C16H18O2/c1-3-17-14-10-11-15(16(12-14)18-4-2)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyFBMYPJNBGWSENW-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.15
Rot. Bonds5

About 2,4-diethoxy-1-phenylbenzene

2,4-diethoxy-1-phenylbenzene (PubChem CID 132889855) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,4-diethoxy-1-phenylbenzene.

Molecular Properties

Compound Name2,4-diethoxy-1-phenylbenzene
PubChem CID132889855
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2,4-diethoxy-1-phenylbenzene
SMILESCCOc1ccc(-c2ccccc2)c(OCC)c1
InChIInChI=1S/C16H18O2/c1-3-17-14-10-11-15(16(12-14)18-4-2)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyFBMYPJNBGWSENW-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
4-ethoxy-1-iodo-2-phenylbenzene
CID 156900261
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
4-ethoxy-2-nitro-1-phenylbenzene
CID 165358913
1,4-diethoxy-2-(4-ethoxyphenyl)benzene;molecular nitrogen
CID 70564094
1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
CID 59789051
2-ethoxy-4-methoxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]benzene
CID 170021293
[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride
CID 121438268
[4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508425
2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136
6-ethoxy-3-phenylquinolin-2-amine;hydrochloride
CID 43866041
(2-phenylphenyl) 4-ethoxybenzoate
CID 23011325

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-1-phenylbenzene?
The IUPAC name of 2,4-diethoxy-1-phenylbenzene (CID 132889855) is 2,4-diethoxy-1-phenylbenzene.
What is the SMILES notation for 2,4-diethoxy-1-phenylbenzene?
The canonical SMILES for 2,4-diethoxy-1-phenylbenzene is CCOc1ccc(-c2ccccc2)c(OCC)c1.
What is the InChIKey of 2,4-diethoxy-1-phenylbenzene?
The InChIKey is FBMYPJNBGWSENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-3-17-14-10-11-15(16(12-14)18-4-2)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3.
What are the key properties of 2,4-diethoxy-1-phenylbenzene?
2,4-diethoxy-1-phenylbenzene has a molecular weight of 242.32 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-1-phenylbenzene is sourced from PubChem (CID 132889855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).