2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane

C22H26O5 — CID 151101290

IUPAC2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane
SMILESCOc1c(CCCOCC2CO2)c2c(c(OC)c1OC)Cc1ccccc1-2
InChIInChI=1S/C22H26O5/c1-23-20-17(9-6-10-26-12-15-13-27-15)19-16-8-5-4-7-14(16)11-18(19)21(24-2)22(20)25-3/h4-5,7-8,15H,6,9-13H2,1-3H3
InChIKeyMOEGPWJFHRXWGB-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.63
Rot. Bonds9

About 2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane

2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane (PubChem CID 151101290) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane.

Molecular Properties

Compound Name2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane
PubChem CID151101290
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane
SMILESCOc1c(CCCOCC2CO2)c2c(c(OC)c1OC)Cc1ccccc1-2
InChIInChI=1S/C22H26O5/c1-23-20-17(9-6-10-26-12-15-13-27-15)19-16-8-5-4-7-14(16)11-18(19)21(24-2)22(20)25-3/h4-5,7-8,15H,6,9-13H2,1-3H3
InChIKeyMOEGPWJFHRXWGB-UHFFFAOYSA-N
XLogP3.63
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trimethoxy-4-propyl-9H-fluorene
CID 150563625
2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane
CID 172692442
diethoxy-(9H-fluoren-1-yl)-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 151390772
9H-fluorene;2-methylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174796639
2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane
CID 172716035
2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane
CID 161234514
trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]phenyl]silane
CID 141423011
2-[12-(2-phenylphenoxy)dodecoxymethyl]oxirane
CID 175143054
2-[3-(4-propylphenyl)propoxymethyl]oxirane
CID 160627488
2-[3-[4-[3,5-dimethyl-4-[3-(oxiran-2-ylmethoxy)propoxy]phenyl]-2,6-dimethylphenoxy]propoxymethyl]oxirane
CID 101109293
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane?
The IUPAC name of 2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane (CID 151101290) is 2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane.
What is the SMILES notation for 2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane?
The canonical SMILES for 2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane is COc1c(CCCOCC2CO2)c2c(c(OC)c1OC)Cc1ccccc1-2.
What is the InChIKey of 2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane?
The InChIKey is MOEGPWJFHRXWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5/c1-23-20-17(9-6-10-26-12-15-13-27-15)19-16-8-5-4-7-14(16)11-18(19)21(24-2)22(20)25-3/h4-5,7-8,15H,6,9-13H2,1-3H3.
What are the key properties of 2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane?
2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane has a molecular weight of 370.45 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane is sourced from PubChem (CID 151101290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).