ethyl 3-(4-phenoxyphenoxy)propyl carbonate

C18H20O5 — CID 10358376

IUPACethyl 3-(4-phenoxyphenoxy)propyl carbonate
SMILESCCOC(=O)OCCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20O5/c1-2-20-18(19)22-14-6-13-21-15-9-11-17(12-10-15)23-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-14H2,1H3
InChIKeyNGYOIICTDJQVLL-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.42
Rot. Bonds8

About ethyl 3-(4-phenoxyphenoxy)propyl carbonate

ethyl 3-(4-phenoxyphenoxy)propyl carbonate (PubChem CID 10358376) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is ethyl 3-(4-phenoxyphenoxy)propyl carbonate.

Molecular Properties

Compound Nameethyl 3-(4-phenoxyphenoxy)propyl carbonate
PubChem CID10358376
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Nameethyl 3-(4-phenoxyphenoxy)propyl carbonate
SMILESCCOC(=O)OCCCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20O5/c1-2-20-18(19)22-14-6-13-21-15-9-11-17(12-10-15)23-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-14H2,1H3
InChIKeyNGYOIICTDJQVLL-UHFFFAOYSA-N
XLogP4.42
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoate
CID 69422526
2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid
CID 67648973
acetic acid;butoxybenzene
CID 162338086
1-phenoxy-4-(3-propoxypropoxy)benzene
CID 14353104
ethyl 6-phenylhexyl carbonate
CID 67250774
triethyl 1-hydroxy-2-[4-(4-phenoxyphenoxy)butoxy]ethane-1,1,2-tricarboxylate
CID 139655757
(2S)-2-ethoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoate
CID 58822722
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
2-ethoxycarbonyl-5-phenoxypentanoic acid
CID 54066512
ethyl 4-[4-(2-phenylethynyl)phenoxy]butanoate
CID 154694040
(4-butoxycarbonyloxy-2,3-diphenoxynaphthalen-1-yl) butyl carbonate
CID 19886882
methane;3-(4-phenoxyphenoxy)propyl 1-methylpyridin-1-ium-3-carboxylate
CID 159733455

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-phenoxyphenoxy)propyl carbonate?
The IUPAC name of ethyl 3-(4-phenoxyphenoxy)propyl carbonate (CID 10358376) is ethyl 3-(4-phenoxyphenoxy)propyl carbonate.
What is the SMILES notation for ethyl 3-(4-phenoxyphenoxy)propyl carbonate?
The canonical SMILES for ethyl 3-(4-phenoxyphenoxy)propyl carbonate is CCOC(=O)OCCCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethyl 3-(4-phenoxyphenoxy)propyl carbonate?
The InChIKey is NGYOIICTDJQVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-2-20-18(19)22-14-6-13-21-15-9-11-17(12-10-15)23-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-14H2,1H3.
What are the key properties of ethyl 3-(4-phenoxyphenoxy)propyl carbonate?
ethyl 3-(4-phenoxyphenoxy)propyl carbonate has a molecular weight of 316.35 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-phenoxyphenoxy)propyl carbonate is sourced from PubChem (CID 10358376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).