ethoxymethyl 2-phenylethyl carbonate

C12H16O4 — CID 24976123

IUPACethoxymethyl 2-phenylethyl carbonate
SMILESCCOCOC(=O)OCCc1ccccc1
InChIInChI=1S/C12H16O4/c1-2-14-10-16-12(13)15-9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyUFCRDQFQHWXKCT-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.38
Rot. Bonds6

About ethoxymethyl 2-phenylethyl carbonate

ethoxymethyl 2-phenylethyl carbonate (PubChem CID 24976123) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethoxymethyl 2-phenylethyl carbonate.

Molecular Properties

Compound Nameethoxymethyl 2-phenylethyl carbonate
PubChem CID24976123
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameethoxymethyl 2-phenylethyl carbonate
SMILESCCOCOC(=O)OCCc1ccccc1
InChIInChI=1S/C12H16O4/c1-2-14-10-16-12(13)15-9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyUFCRDQFQHWXKCT-UHFFFAOYSA-N
XLogP2.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-phenylethyl phenylmethoxymethyl carbonate
CID 11022486
ethyl 6-phenylhexyl carbonate
CID 67250774
2-phenylethyl acetate
CID 7654
acetic acid;2-phenylethyl acetate
CID 174791962
1-iodoethyl 2-phenylethyl carbonate
CID 23449049
heptyl 7-phenylheptyl carbonate
CID 67251382
2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate
CID 130220835
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate
CID 15927737
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
(2-butylphenyl) 2-phenylethyl carbonate
CID 118690309

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl 2-phenylethyl carbonate?
The IUPAC name of ethoxymethyl 2-phenylethyl carbonate (CID 24976123) is ethoxymethyl 2-phenylethyl carbonate.
What is the SMILES notation for ethoxymethyl 2-phenylethyl carbonate?
The canonical SMILES for ethoxymethyl 2-phenylethyl carbonate is CCOCOC(=O)OCCc1ccccc1.
What is the InChIKey of ethoxymethyl 2-phenylethyl carbonate?
The InChIKey is UFCRDQFQHWXKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-2-14-10-16-12(13)15-9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3.
What are the key properties of ethoxymethyl 2-phenylethyl carbonate?
ethoxymethyl 2-phenylethyl carbonate has a molecular weight of 224.26 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl 2-phenylethyl carbonate is sourced from PubChem (CID 24976123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).