ethyl formate;phenoxybenzene

C15H16O3 — CID 174262860

IUPACethyl formate;phenoxybenzene
SMILESCCOC=O.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C3H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-5-3-4/h1-10H;3H,2H2,1H3
InChIKeyTYTIPVGGIWWBBJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.66
Rot. Bonds4

About ethyl formate;phenoxybenzene

ethyl formate;phenoxybenzene (PubChem CID 174262860) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl formate;phenoxybenzene.

Molecular Properties

Compound Nameethyl formate;phenoxybenzene
PubChem CID174262860
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Nameethyl formate;phenoxybenzene
SMILESCCOC=O.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C3H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-5-3-4/h1-10H;3H,2H2,1H3
InChIKeyTYTIPVGGIWWBBJ-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethylbenzene;ethyl formate
CID 123765960
bromomethylbenzene;ethyl formate
CID 160682480
benzoic acid;ethyl formate
CID 158867459
aniline;bicyclo[2.2.0]hexa-1,3,5-triene;ethyl formate
CID 174349265
acetic acid;ethyl formate;toluene
CID 160542661
ethane;phenoxybenzene;propane
CID 90923491
ethyl formate;2-methylbutan-2-ylbenzene
CID 174608198
benzene;ethyl formate;hexane
CID 174516093
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl formate
CID 174645467
benzoic acid;ethyl formate;propanoic acid
CID 158740567
lithium;ethyl formate;hydroxide
CID 174914217
1,3-difluorobenzene;ethyl formate
CID 159397616

Frequently Asked Questions

What is the IUPAC name of ethyl formate;phenoxybenzene?
The IUPAC name of ethyl formate;phenoxybenzene (CID 174262860) is ethyl formate;phenoxybenzene.
What is the SMILES notation for ethyl formate;phenoxybenzene?
The canonical SMILES for ethyl formate;phenoxybenzene is CCOC=O.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethyl formate;phenoxybenzene?
The InChIKey is TYTIPVGGIWWBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C3H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-5-3-4/h1-10H;3H,2H2,1H3.
What are the key properties of ethyl formate;phenoxybenzene?
ethyl formate;phenoxybenzene has a molecular weight of 244.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;phenoxybenzene is sourced from PubChem (CID 174262860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).