1,2,3-trimethoxy-4-propyl-9H-fluorene

C19H22O3 — CID 150563625

IUPAC1,2,3-trimethoxy-4-propyl-9H-fluorene
SMILESCCCc1c(OC)c(OC)c(OC)c2c1-c1ccccc1C2
InChIInChI=1S/C19H22O3/c1-5-8-14-16-13-10-7-6-9-12(13)11-15(16)18(21-3)19(22-4)17(14)20-2/h6-7,9-10H,5,8,11H2,1-4H3
InChIKeyIKJGBKBTVRQMNJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.24
Rot. Bonds5

About 1,2,3-trimethoxy-4-propyl-9H-fluorene

1,2,3-trimethoxy-4-propyl-9H-fluorene (PubChem CID 150563625) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1,2,3-trimethoxy-4-propyl-9H-fluorene.

Molecular Properties

Compound Name1,2,3-trimethoxy-4-propyl-9H-fluorene
PubChem CID150563625
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name1,2,3-trimethoxy-4-propyl-9H-fluorene
SMILESCCCc1c(OC)c(OC)c(OC)c2c1-c1ccccc1C2
InChIInChI=1S/C19H22O3/c1-5-8-14-16-13-10-7-6-9-12(13)11-15(16)18(21-3)19(22-4)17(14)20-2/h6-7,9-10H,5,8,11H2,1-4H3
InChIKeyIKJGBKBTVRQMNJ-UHFFFAOYSA-N
XLogP4.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-diethoxy-3,4-dipropyl-9H-fluorene
CID 150425697
2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane
CID 151101290
4-butyl-2-methoxy-3-phenyl-9H-indeno[2,1-b]pyridine
CID 135036036
3,4-dimethoxy-5H-indeno[1,2-b]pyridin-2-amine
CID 67354604
1-(2,3-dimethoxyphenyl)-9H-fluorene
CID 150272251
2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
CID 21254346
3,4-dibromo-1,2-dihexyl-9H-fluorene
CID 23031046
1,2-diphenyl-3-propyl-9H-fluorene
CID 174971839
1,2-dihexyl-9H-fluorene
CID 22141601
3,4-dioctyl-9H-fluorene
CID 173498709
2,3-dimethoxy-1-methyl-9H-fluorene
CID 156613196
1,2-diethyl-9H-fluorene
CID 23440471

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-4-propyl-9H-fluorene?
The IUPAC name of 1,2,3-trimethoxy-4-propyl-9H-fluorene (CID 150563625) is 1,2,3-trimethoxy-4-propyl-9H-fluorene.
What is the SMILES notation for 1,2,3-trimethoxy-4-propyl-9H-fluorene?
The canonical SMILES for 1,2,3-trimethoxy-4-propyl-9H-fluorene is CCCc1c(OC)c(OC)c(OC)c2c1-c1ccccc1C2.
What is the InChIKey of 1,2,3-trimethoxy-4-propyl-9H-fluorene?
The InChIKey is IKJGBKBTVRQMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-5-8-14-16-13-10-7-6-9-12(13)11-15(16)18(21-3)19(22-4)17(14)20-2/h6-7,9-10H,5,8,11H2,1-4H3.
What are the key properties of 1,2,3-trimethoxy-4-propyl-9H-fluorene?
1,2,3-trimethoxy-4-propyl-9H-fluorene has a molecular weight of 298.38 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-4-propyl-9H-fluorene is sourced from PubChem (CID 150563625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).