1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene

C32H34O2 — CID 143659325

IUPAC1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene
SMILESCCCOc1ccc(C2(c3ccc(OCCC)cc3)C3=C(C=CCC3C)c3ccccc32)cc1
InChIInChI=1S/C32H34O2/c1-4-21-33-26-17-13-24(14-18-26)32(25-15-19-27(20-16-25)34-22-5-2)30-12-7-6-10-28(30)29-11-8-9-23(3)31(29)32/h6-8,10-20,23H,4-5,9,21-22H2,1-3H3
InChIKeyPCEWPNOSWAWAPC-UHFFFAOYSA-N
MW450.62 g/mol
LogP7.96
Rot. Bonds8

About 1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene

1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene (PubChem CID 143659325) has the molecular formula C32H34O2 and a molecular weight of 450.62 g/mol. Its IUPAC name is 1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene.

Molecular Properties

Compound Name1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene
PubChem CID143659325
Molecular FormulaC32H34O2
Molecular Weight450.62 g/mol
Exact Mass450.26
IUPAC Name1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene
SMILESCCCOc1ccc(C2(c3ccc(OCCC)cc3)C3=C(C=CCC3C)c3ccccc32)cc1
InChIInChI=1S/C32H34O2/c1-4-21-33-26-17-13-24(14-18-26)32(25-15-19-27(20-16-25)34-22-5-2)30-12-7-6-10-28(30)29-11-8-9-23(3)31(29)32/h6-8,10-20,23H,4-5,9,21-22H2,1-3H3
InChIKeyPCEWPNOSWAWAPC-UHFFFAOYSA-N
XLogP7.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene?
The IUPAC name of 1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene (CID 143659325) is 1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene.
What is the SMILES notation for 1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene?
The canonical SMILES for 1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene is CCCOc1ccc(C2(c3ccc(OCCC)cc3)C3=C(C=CCC3C)c3ccccc32)cc1.
What is the InChIKey of 1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene?
The InChIKey is PCEWPNOSWAWAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O2/c1-4-21-33-26-17-13-24(14-18-26)32(25-15-19-27(20-16-25)34-22-5-2)30-12-7-6-10-28(30)29-11-8-9-23(3)31(29)32/h6-8,10-20,23H,4-5,9,21-22H2,1-3H3.
What are the key properties of 1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene?
1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene has a molecular weight of 450.62 g/mol, XLogP of 7.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9,9-bis(4-propoxyphenyl)-1,2-dihydrofluorene is sourced from PubChem (CID 143659325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).