carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene

C21H20O3 — CID 67179432

IUPACcarbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
SMILESCCc1ccccc1-c1ccccc1-c1ccccc1.O=C(O)O
InChIInChI=1S/C20H18.CH2O3/c1-2-16-10-6-7-13-18(16)20-15-9-8-14-19(20)17-11-4-3-5-12-17;2-1(3)4/h3-15H,2H2,1H3;(H2,2,3,4)
InChIKeyIJICVQMBGJZNOV-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.81
Rot. Bonds3

About carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene

carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene (PubChem CID 67179432) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene.

Molecular Properties

Compound Namecarbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
PubChem CID67179432
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Namecarbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
SMILESCCc1ccccc1-c1ccccc1-c1ccccc1.O=C(O)O
InChIInChI=1S/C20H18.CH2O3/c1-2-16-10-6-7-13-18(16)20-15-9-8-14-19(20)17-11-4-3-5-12-17;2-1(3)4/h3-15H,2H2,1H3;(H2,2,3,4)
InChIKeyIJICVQMBGJZNOV-UHFFFAOYSA-N
XLogP5.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
benzoic acid;1-ethyl-2-phenylbenzene
CID 66846233
carbonic acid;1,2-diethylbenzene
CID 89388803
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
2-bromo-1-ethyl-3-phenylbenzene
CID 174683375
4-(2-ethylphenyl)benzamide
CID 69080578
1-ethyl-3-methyl-2-(2-phenylphenyl)benzene
CID 175280836
1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene?
The IUPAC name of carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene (CID 67179432) is carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene.
What is the SMILES notation for carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene?
The canonical SMILES for carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene is CCc1ccccc1-c1ccccc1-c1ccccc1.O=C(O)O.
What is the InChIKey of carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene?
The InChIKey is IJICVQMBGJZNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.CH2O3/c1-2-16-10-6-7-13-18(16)20-15-9-8-14-19(20)17-11-4-3-5-12-17;2-1(3)4/h3-15H,2H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene?
carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene has a molecular weight of 320.39 g/mol, XLogP of 5.81, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene is sourced from PubChem (CID 67179432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).