2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane

C20H18O2 — CID 174458994

IUPAC2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane
SMILESc1ccc2cc3c(CC4CO4)c(CC4CO4)ccc3cc2c1
InChIInChI=1S/C20H18O2/c1-2-4-14-9-19-15(7-13(14)3-1)5-6-16(8-17-11-21-17)20(19)10-18-12-22-18/h1-7,9,17-18H,8,10-12H2
InChIKeyOMPNWQZCPNBVRA-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.88
Rot. Bonds4

About 2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane

2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane (PubChem CID 174458994) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane.

Molecular Properties

Compound Name2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane
PubChem CID174458994
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane
SMILESc1ccc2cc3c(CC4CO4)c(CC4CO4)ccc3cc2c1
InChIInChI=1S/C20H18O2/c1-2-4-14-9-19-15(7-13(14)3-1)5-6-16(8-17-11-21-17)20(19)10-18-12-22-18/h1-7,9,17-18H,8,10-12H2
InChIKeyOMPNWQZCPNBVRA-UHFFFAOYSA-N
XLogP3.88
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(anthracen-9-ylmethyl)oxirane
CID 54367420
2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine
CID 23126170
2-(anthracen-1-ylmethyl)oxirane;hexan-1-ol
CID 175240199
methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 174690186
azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 87240097
2,3-bis(oxiran-2-ylmethyl)phenol
CID 19029836
1,2-diethylanthracene
CID 19372429
2-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenyl)oxirane
CID 141353663
2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol
CID 140959428
2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol
CID 141149297
18,19-bis(oxiran-2-ylmethyl)hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaen-17-amine
CID 140787444
[2-(oxiran-2-ylmethyl)naphthalen-1-yl] trifluoromethanesulfonate
CID 10664295

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane?
The IUPAC name of 2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane (CID 174458994) is 2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane.
What is the SMILES notation for 2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane?
The canonical SMILES for 2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane is c1ccc2cc3c(CC4CO4)c(CC4CO4)ccc3cc2c1.
What is the InChIKey of 2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane?
The InChIKey is OMPNWQZCPNBVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-2-4-14-9-19-15(7-13(14)3-1)5-6-16(8-17-11-21-17)20(19)10-18-12-22-18/h1-7,9,17-18H,8,10-12H2.
What are the key properties of 2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane?
2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane has a molecular weight of 290.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane is sourced from PubChem (CID 174458994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).