1,2-dibutoxy-9H-fluorene;9H-fluorene

C34H36O2 — CID 158569964

IUPAC1,2-dibutoxy-9H-fluorene;9H-fluorene
SMILESCCCCOc1ccc2c(c1OCCCC)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H26O2.C13H10/c1-3-5-13-22-20-12-11-18-17-10-8-7-9-16(17)15-19(18)21(20)23-14-6-4-2;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h7-12H,3-6,13-15H2,1-2H3;1-8H,9H2
InChIKeyHRYNFQZSVGPMTI-UHFFFAOYSA-N
MW476.66 g/mol
LogP8.87
Rot. Bonds8

About 1,2-dibutoxy-9H-fluorene;9H-fluorene

1,2-dibutoxy-9H-fluorene;9H-fluorene (PubChem CID 158569964) has the molecular formula C34H36O2 and a molecular weight of 476.66 g/mol. Its IUPAC name is 1,2-dibutoxy-9H-fluorene;9H-fluorene.

Molecular Properties

Compound Name1,2-dibutoxy-9H-fluorene;9H-fluorene
PubChem CID158569964
Molecular FormulaC34H36O2
Molecular Weight476.66 g/mol
Exact Mass476.27
IUPAC Name1,2-dibutoxy-9H-fluorene;9H-fluorene
SMILESCCCCOc1ccc2c(c1OCCCC)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H26O2.C13H10/c1-3-5-13-22-20-12-11-18-17-10-8-7-9-16(17)15-19(18)21(20)23-14-6-4-2;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h7-12H,3-6,13-15H2,1-2H3;1-8H,9H2
InChIKeyHRYNFQZSVGPMTI-UHFFFAOYSA-N
XLogP8.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-[2-(diethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylethanamine;dihydrochloride
CID 141137663
bis(9H-fluorene);pentane
CID 159146463
bis(9H-fluorene);methane;pentane
CID 158815702
1,4-dibutoxynaphthalene
CID 22016411
9H-fluorene;henicosane
CID 174789372
1-ethoxy-9H-fluoren-2-ol
CID 174692103
2-[(1-chloro-9H-fluoren-2-yl)oxy]ethyl-trimethylsilane
CID 152525917
2-ethoxy-1-naphthalen-1-yl-9H-fluorene
CID 91339111
4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol
CID 151570912
2-[[1-[2-amino-2-(benzenesulfonyl)ethoxy]-9H-fluoren-2-yl]oxy]-1-(benzenesulfonyl)ethanamine
CID 141344326
2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane
CID 172716035
2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]-9H-fluoren-1-yl]acetic acid
CID 158494122

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutoxy-9H-fluorene;9H-fluorene?
The IUPAC name of 1,2-dibutoxy-9H-fluorene;9H-fluorene (CID 158569964) is 1,2-dibutoxy-9H-fluorene;9H-fluorene.
What is the SMILES notation for 1,2-dibutoxy-9H-fluorene;9H-fluorene?
The canonical SMILES for 1,2-dibutoxy-9H-fluorene;9H-fluorene is CCCCOc1ccc2c(c1OCCCC)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1,2-dibutoxy-9H-fluorene;9H-fluorene?
The InChIKey is HRYNFQZSVGPMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2.C13H10/c1-3-5-13-22-20-12-11-18-17-10-8-7-9-16(17)15-19(18)21(20)23-14-6-4-2;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h7-12H,3-6,13-15H2,1-2H3;1-8H,9H2.
What are the key properties of 1,2-dibutoxy-9H-fluorene;9H-fluorene?
1,2-dibutoxy-9H-fluorene;9H-fluorene has a molecular weight of 476.66 g/mol, XLogP of 8.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutoxy-9H-fluorene;9H-fluorene is sourced from PubChem (CID 158569964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).