1,2-diethoxy-3,4-dipropyl-9H-fluorene

C23H30O2 — CID 150425697

IUPAC1,2-diethoxy-3,4-dipropyl-9H-fluorene
SMILESCCCc1c(CCC)c2c(c(OCC)c1OCC)Cc1ccccc1-2
InChIInChI=1S/C23H30O2/c1-5-11-18-19(12-6-2)22(24-7-3)23(25-8-4)20-15-16-13-9-10-14-17(16)21(18)20/h9-10,13-14H,5-8,11-12,15H2,1-4H3
InChIKeyHIRZUCSOCLRNAS-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.96
Rot. Bonds8

About 1,2-diethoxy-3,4-dipropyl-9H-fluorene

1,2-diethoxy-3,4-dipropyl-9H-fluorene (PubChem CID 150425697) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 1,2-diethoxy-3,4-dipropyl-9H-fluorene.

Molecular Properties

Compound Name1,2-diethoxy-3,4-dipropyl-9H-fluorene
PubChem CID150425697
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name1,2-diethoxy-3,4-dipropyl-9H-fluorene
SMILESCCCc1c(CCC)c2c(c(OCC)c1OCC)Cc1ccccc1-2
InChIInChI=1S/C23H30O2/c1-5-11-18-19(12-6-2)22(24-7-3)23(25-8-4)20-15-16-13-9-10-14-17(16)21(18)20/h9-10,13-14H,5-8,11-12,15H2,1-4H3
InChIKeyHIRZUCSOCLRNAS-UHFFFAOYSA-N
XLogP5.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3-trimethoxy-4-propyl-9H-fluorene
CID 150563625
1-ethoxy-9H-fluoren-2-ol
CID 174692103
2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
CID 21254346
2-ethoxy-1-naphthalen-1-yl-9H-fluorene
CID 91339111
3,4-dibromo-1,2-dihexyl-9H-fluorene
CID 23031046
O-(2,3,4-trifluoro-9H-fluoren-1-yl)hydroxylamine
CID 150641353
3,4-dioctyl-9H-fluorene
CID 173498709
1,2-diphenyl-3-propyl-9H-fluorene
CID 174971839
1,2-dihexyl-9H-fluorene
CID 22141601
1,2-diethyl-9H-fluorene
CID 23440471
2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane
CID 151101290
2-butyl-1-phenyl-9H-fluorene
CID 154085968

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxy-3,4-dipropyl-9H-fluorene?
The IUPAC name of 1,2-diethoxy-3,4-dipropyl-9H-fluorene (CID 150425697) is 1,2-diethoxy-3,4-dipropyl-9H-fluorene.
What is the SMILES notation for 1,2-diethoxy-3,4-dipropyl-9H-fluorene?
The canonical SMILES for 1,2-diethoxy-3,4-dipropyl-9H-fluorene is CCCc1c(CCC)c2c(c(OCC)c1OCC)Cc1ccccc1-2.
What is the InChIKey of 1,2-diethoxy-3,4-dipropyl-9H-fluorene?
The InChIKey is HIRZUCSOCLRNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2/c1-5-11-18-19(12-6-2)22(24-7-3)23(25-8-4)20-15-16-13-9-10-14-17(16)21(18)20/h9-10,13-14H,5-8,11-12,15H2,1-4H3.
What are the key properties of 1,2-diethoxy-3,4-dipropyl-9H-fluorene?
1,2-diethoxy-3,4-dipropyl-9H-fluorene has a molecular weight of 338.49 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxy-3,4-dipropyl-9H-fluorene is sourced from PubChem (CID 150425697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).