acetic acid;1-ethyl-2-phenylbenzene

C16H18O2 — CID 67681814

IUPACacetic acid;1-ethyl-2-phenylbenzene
SMILESCC(=O)O.CCc1ccccc1-c1ccccc1
InChIInChI=1S/C14H14.C2H4O2/c1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13;1-2(3)4/h3-11H,2H2,1H3;1H3,(H,3,4)
InChIKeyIAOOGJGMOZBZRQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.01
Rot. Bonds2

About acetic acid;1-ethyl-2-phenylbenzene

acetic acid;1-ethyl-2-phenylbenzene (PubChem CID 67681814) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is acetic acid;1-ethyl-2-phenylbenzene.

Molecular Properties

Compound Nameacetic acid;1-ethyl-2-phenylbenzene
PubChem CID67681814
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Nameacetic acid;1-ethyl-2-phenylbenzene
SMILESCC(=O)O.CCc1ccccc1-c1ccccc1
InChIInChI=1S/C14H14.C2H4O2/c1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13;1-2(3)4/h3-11H,2H2,1H3;1H3,(H,3,4)
InChIKeyIAOOGJGMOZBZRQ-UHFFFAOYSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
benzoic acid;1-ethyl-2-phenylbenzene
CID 66846233
carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
CID 67179432
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
4-(2-ethylphenyl)benzamide
CID 69080578
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
carbonic acid;1,2-diethylbenzene
CID 89388803
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
5-(2-ethylphenyl)benzene-1,3-diol
CID 101302537
2-bromo-1-ethyl-3-phenylbenzene
CID 174683375

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-ethyl-2-phenylbenzene?
The IUPAC name of acetic acid;1-ethyl-2-phenylbenzene (CID 67681814) is acetic acid;1-ethyl-2-phenylbenzene.
What is the SMILES notation for acetic acid;1-ethyl-2-phenylbenzene?
The canonical SMILES for acetic acid;1-ethyl-2-phenylbenzene is CC(=O)O.CCc1ccccc1-c1ccccc1.
What is the InChIKey of acetic acid;1-ethyl-2-phenylbenzene?
The InChIKey is IAOOGJGMOZBZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C2H4O2/c1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13;1-2(3)4/h3-11H,2H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-ethyl-2-phenylbenzene?
acetic acid;1-ethyl-2-phenylbenzene has a molecular weight of 242.32 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-ethyl-2-phenylbenzene is sourced from PubChem (CID 67681814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).