2-phenylethyl phenylmethoxymethyl carbonate

C17H18O4 — CID 11022486

IUPAC2-phenylethyl phenylmethoxymethyl carbonate
SMILESO=C(OCCc1ccccc1)OCOCc1ccccc1
InChIInChI=1S/C17H18O4/c18-17(20-12-11-15-7-3-1-4-8-15)21-14-19-13-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyVJCONPJCIYFBHN-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.56
Rot. Bonds7

About 2-phenylethyl phenylmethoxymethyl carbonate

2-phenylethyl phenylmethoxymethyl carbonate (PubChem CID 11022486) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-phenylethyl phenylmethoxymethyl carbonate.

Molecular Properties

Compound Name2-phenylethyl phenylmethoxymethyl carbonate
PubChem CID11022486
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-phenylethyl phenylmethoxymethyl carbonate
SMILESO=C(OCCc1ccccc1)OCOCc1ccccc1
InChIInChI=1S/C17H18O4/c18-17(20-12-11-15-7-3-1-4-8-15)21-14-19-13-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyVJCONPJCIYFBHN-UHFFFAOYSA-N
XLogP3.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.56
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

ethoxymethyl 2-phenylethyl carbonate
CID 24976123
aminomethyl 2-phenylmethoxyethyl carbonate
CID 134483943
2-phenylmethoxyethyl sulfanylmethyl carbonate
CID 139402472
benzyl 2-hydroxyethyl carbonate
CID 139815197
4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
2-phenylethyl acetate
CID 7654
(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate
CID 15927737
acetic acid;2-phenylethyl acetate
CID 174791962
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
(4-methylphenyl)methyl 3-phenylpropyl carbonate
CID 22889315
2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate
CID 130220835
benzyl 2-ethenoxyethyl carbonate
CID 19813780

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl phenylmethoxymethyl carbonate?
The IUPAC name of 2-phenylethyl phenylmethoxymethyl carbonate (CID 11022486) is 2-phenylethyl phenylmethoxymethyl carbonate.
What is the SMILES notation for 2-phenylethyl phenylmethoxymethyl carbonate?
The canonical SMILES for 2-phenylethyl phenylmethoxymethyl carbonate is O=C(OCCc1ccccc1)OCOCc1ccccc1.
What is the InChIKey of 2-phenylethyl phenylmethoxymethyl carbonate?
The InChIKey is VJCONPJCIYFBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c18-17(20-12-11-15-7-3-1-4-8-15)21-14-19-13-16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 2-phenylethyl phenylmethoxymethyl carbonate?
2-phenylethyl phenylmethoxymethyl carbonate has a molecular weight of 286.33 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl phenylmethoxymethyl carbonate is sourced from PubChem (CID 11022486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).