bis(3-prop-2-enoxyphenyl) carbonate

C19H18O5 — CID 175530983

IUPACbis(3-prop-2-enoxyphenyl) carbonate
SMILESC=CCOc1cccc(OC(=O)Oc2cccc(OCC=C)c2)c1
InChIInChI=1S/C19H18O5/c1-3-11-21-15-7-5-9-17(13-15)23-19(20)24-18-10-6-8-16(14-18)22-12-4-2/h3-10,13-14H,1-2,11-12H2
InChIKeyNXRUMDKFVKUQOE-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.39
Rot. Bonds8

About bis(3-prop-2-enoxyphenyl) carbonate

bis(3-prop-2-enoxyphenyl) carbonate (PubChem CID 175530983) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is bis(3-prop-2-enoxyphenyl) carbonate.

Molecular Properties

Compound Namebis(3-prop-2-enoxyphenyl) carbonate
PubChem CID175530983
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Namebis(3-prop-2-enoxyphenyl) carbonate
SMILESC=CCOc1cccc(OC(=O)Oc2cccc(OCC=C)c2)c1
InChIInChI=1S/C19H18O5/c1-3-11-21-15-7-5-9-17(13-15)23-19(20)24-18-10-6-8-16(14-18)22-12-4-2/h3-10,13-14H,1-2,11-12H2
InChIKeyNXRUMDKFVKUQOE-UHFFFAOYSA-N
XLogP4.39
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-prop-2-enoxyphenyl)azanium
CID 59822882
(3-ethoxyphenyl) prop-2-enoate
CID 54380290
2-hydroxy-2-(3-prop-2-enoxyphenyl)acetic acid
CID 22346232
3-(3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 74580611
prop-2-enoic acid;prop-2-enoxybenzene
CID 174376278
2-(3-prop-2-enoxyphenyl)propanoic acid
CID 156638364
2-amino-2-(3-prop-2-enoxyphenyl)acetic acid
CID 22278592
1-prop-2-enoxy-3-prop-2-enylbenzene
CID 67362226
ethane;3-prop-2-enoxyaniline
CID 143673688
3-prop-2-enoxybenzenesulfonyl chloride
CID 61374246
1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene
CID 170196705
1-octoxy-3-prop-2-enoxybenzene
CID 14202237

Frequently Asked Questions

What is the IUPAC name of bis(3-prop-2-enoxyphenyl) carbonate?
The IUPAC name of bis(3-prop-2-enoxyphenyl) carbonate (CID 175530983) is bis(3-prop-2-enoxyphenyl) carbonate.
What is the SMILES notation for bis(3-prop-2-enoxyphenyl) carbonate?
The canonical SMILES for bis(3-prop-2-enoxyphenyl) carbonate is C=CCOc1cccc(OC(=O)Oc2cccc(OCC=C)c2)c1.
What is the InChIKey of bis(3-prop-2-enoxyphenyl) carbonate?
The InChIKey is NXRUMDKFVKUQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-3-11-21-15-7-5-9-17(13-15)23-19(20)24-18-10-6-8-16(14-18)22-12-4-2/h3-10,13-14H,1-2,11-12H2.
What are the key properties of bis(3-prop-2-enoxyphenyl) carbonate?
bis(3-prop-2-enoxyphenyl) carbonate has a molecular weight of 326.35 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-prop-2-enoxyphenyl) carbonate is sourced from PubChem (CID 175530983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).