methyl (9-oxofluoren-4-yl) carbonate

C15H10O4 — CID 67416838

IUPACmethyl (9-oxofluoren-4-yl) carbonate
SMILESCOC(=O)Oc1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C15H10O4/c1-18-15(17)19-12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16/h2-8H,1H3
InChIKeyUEAKHYJDWBDKFC-UHFFFAOYSA-N
MW254.24 g/mol
LogP3.04
Rot. Bonds1

About methyl (9-oxofluoren-4-yl) carbonate

methyl (9-oxofluoren-4-yl) carbonate (PubChem CID 67416838) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is methyl (9-oxofluoren-4-yl) carbonate.

Molecular Properties

Compound Namemethyl (9-oxofluoren-4-yl) carbonate
PubChem CID67416838
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Namemethyl (9-oxofluoren-4-yl) carbonate
SMILESCOC(=O)Oc1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C15H10O4/c1-18-15(17)19-12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16/h2-8H,1H3
InChIKeyUEAKHYJDWBDKFC-UHFFFAOYSA-N
XLogP3.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 53.04
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

(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
(9,10-dioxoanthracen-1-yl) 2-methylidenebutanoate
CID 18175784
1,5-dimethoxyfluoren-9-one
CID 19594782
methyl 2-methoxy-6-methoxycarbonyloxybenzoate
CID 174850482
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
(9,10-dioxoanthracen-1-yl) 2,2-dimethylbutanoate
CID 118679871
(2-iodophenyl) methyl carbonate
CID 102340361
(9-oxofluoren-4-yl)boronic acid
CID 67270754
biphenylen-1-yl hydrogen carbonate
CID 174719796
dimethyl 5-methoxy-1,4-dioxonaphthalene-2,3-dicarboxylate
CID 10470278
(2-acetylphenyl) methyl carbonate
CID 14493761
(2-ethylphenyl) methyl carbonate
CID 67179071

Frequently Asked Questions

What is the IUPAC name of methyl (9-oxofluoren-4-yl) carbonate?
The IUPAC name of methyl (9-oxofluoren-4-yl) carbonate (CID 67416838) is methyl (9-oxofluoren-4-yl) carbonate.
What is the SMILES notation for methyl (9-oxofluoren-4-yl) carbonate?
The canonical SMILES for methyl (9-oxofluoren-4-yl) carbonate is COC(=O)Oc1cccc2c1-c1ccccc1C2=O.
What is the InChIKey of methyl (9-oxofluoren-4-yl) carbonate?
The InChIKey is UEAKHYJDWBDKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c1-18-15(17)19-12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16/h2-8H,1H3.
What are the key properties of methyl (9-oxofluoren-4-yl) carbonate?
methyl (9-oxofluoren-4-yl) carbonate has a molecular weight of 254.24 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (9-oxofluoren-4-yl) carbonate is sourced from PubChem (CID 67416838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).