9,9-bis[4-(methoxymethoxy)phenyl]fluorene

C29H26O4 — CID 58090347

IUPAC9,9-bis[4-(methoxymethoxy)phenyl]fluorene
SMILESCOCOc1ccc(C2(c3ccc(OCOC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H26O4/c1-30-19-32-23-15-11-21(12-16-23)29(22-13-17-24(18-14-22)33-20-31-2)27-9-5-3-7-25(27)26-8-4-6-10-28(26)29/h3-18H,19-20H2,1-2H3
InChIKeyLQRZWQDXIJXTLR-UHFFFAOYSA-N
MW438.52 g/mol
LogP6.02
Rot. Bonds8

About 9,9-bis[4-(methoxymethoxy)phenyl]fluorene

9,9-bis[4-(methoxymethoxy)phenyl]fluorene (PubChem CID 58090347) has the molecular formula C29H26O4 and a molecular weight of 438.52 g/mol. Its IUPAC name is 9,9-bis[4-(methoxymethoxy)phenyl]fluorene.

Molecular Properties

Compound Name9,9-bis[4-(methoxymethoxy)phenyl]fluorene
PubChem CID58090347
Molecular FormulaC29H26O4
Molecular Weight438.52 g/mol
Exact Mass438.18
IUPAC Name9,9-bis[4-(methoxymethoxy)phenyl]fluorene
SMILESCOCOc1ccc(C2(c3ccc(OCOC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H26O4/c1-30-19-32-23-15-11-21(12-16-23)29(22-13-17-24(18-14-22)33-20-31-2)27-9-5-3-7-25(27)26-8-4-6-10-28(26)29/h3-18H,19-20H2,1-2H3
InChIKeyLQRZWQDXIJXTLR-UHFFFAOYSA-N
XLogP6.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-(methoxymethoxy)phenyl]fluorene?
The IUPAC name of 9,9-bis[4-(methoxymethoxy)phenyl]fluorene (CID 58090347) is 9,9-bis[4-(methoxymethoxy)phenyl]fluorene.
What is the SMILES notation for 9,9-bis[4-(methoxymethoxy)phenyl]fluorene?
The canonical SMILES for 9,9-bis[4-(methoxymethoxy)phenyl]fluorene is COCOc1ccc(C2(c3ccc(OCOC)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9,9-bis[4-(methoxymethoxy)phenyl]fluorene?
The InChIKey is LQRZWQDXIJXTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O4/c1-30-19-32-23-15-11-21(12-16-23)29(22-13-17-24(18-14-22)33-20-31-2)27-9-5-3-7-25(27)26-8-4-6-10-28(26)29/h3-18H,19-20H2,1-2H3.
What are the key properties of 9,9-bis[4-(methoxymethoxy)phenyl]fluorene?
9,9-bis[4-(methoxymethoxy)phenyl]fluorene has a molecular weight of 438.52 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-(methoxymethoxy)phenyl]fluorene is sourced from PubChem (CID 58090347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).