ethane;(3-methoxyphenyl) methyl carbonate

C11H16O4 — CID 91439212

IUPACethane;(3-methoxyphenyl) methyl carbonate
SMILESCC.COC(=O)Oc1cccc(OC)c1
InChIInChI=1S/C9H10O4.C2H6/c1-11-7-4-3-5-8(6-7)13-9(10)12-2;1-2/h3-6H,1-2H3;1-2H3
InChIKeyKGIWEWKVBNCMHI-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.87
Rot. Bonds2

About ethane;(3-methoxyphenyl) methyl carbonate

ethane;(3-methoxyphenyl) methyl carbonate (PubChem CID 91439212) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethane;(3-methoxyphenyl) methyl carbonate.

Molecular Properties

Compound Nameethane;(3-methoxyphenyl) methyl carbonate
PubChem CID91439212
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethane;(3-methoxyphenyl) methyl carbonate
SMILESCC.COC(=O)Oc1cccc(OC)c1
InChIInChI=1S/C9H10O4.C2H6/c1-11-7-4-3-5-8(6-7)13-9(10)12-2;1-2/h3-6H,1-2H3;1-2H3
InChIKeyKGIWEWKVBNCMHI-UHFFFAOYSA-N
XLogP2.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-iodoethyl (3-methoxyphenyl) carbonate
CID 23449207
(3-methoxyphenyl) 3-methylbutan-2-yl carbonate
CID 123755926
[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate
CID 67721243
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
(3-methoxyphenyl) (4-nitrophenyl) carbonate
CID 67038917
(3-methoxyphenyl) N-(methylideneamino)carbamate
CID 69191110
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
(3,4-dimethoxyphenyl) methyl carbonate
CID 175298051
(Z)-4-(3-methoxyphenoxy)-4-oxobut-2-enoic acid
CID 21203952

Frequently Asked Questions

What is the IUPAC name of ethane;(3-methoxyphenyl) methyl carbonate?
The IUPAC name of ethane;(3-methoxyphenyl) methyl carbonate (CID 91439212) is ethane;(3-methoxyphenyl) methyl carbonate.
What is the SMILES notation for ethane;(3-methoxyphenyl) methyl carbonate?
The canonical SMILES for ethane;(3-methoxyphenyl) methyl carbonate is CC.COC(=O)Oc1cccc(OC)c1.
What is the InChIKey of ethane;(3-methoxyphenyl) methyl carbonate?
The InChIKey is KGIWEWKVBNCMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4.C2H6/c1-11-7-4-3-5-8(6-7)13-9(10)12-2;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;(3-methoxyphenyl) methyl carbonate?
ethane;(3-methoxyphenyl) methyl carbonate has a molecular weight of 212.24 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-methoxyphenyl) methyl carbonate is sourced from PubChem (CID 91439212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).