9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene

C19H16O — CID 23213774

IUPAC9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene
SMILESCOc1ccc2c(c1)-c1ccccc1C2C1=CCC=C1
InChIInChI=1S/C19H16O/c1-20-14-10-11-17-18(12-14)15-8-4-5-9-16(15)19(17)13-6-2-3-7-13/h2,4-12,19H,3H2,1H3
InChIKeyDZQISHLEXNFGDJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.69
Rot. Bonds2

About 9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene

9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene (PubChem CID 23213774) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene.

Molecular Properties

Compound Name9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene
PubChem CID23213774
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene
SMILESCOc1ccc2c(c1)-c1ccccc1C2C1=CCC=C1
InChIInChI=1S/C19H16O/c1-20-14-10-11-17-18(12-14)15-8-4-5-9-16(15)19(17)13-6-2-3-7-13/h2,4-12,19H,3H2,1H3
InChIKeyDZQISHLEXNFGDJ-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(4-methoxyphenyl)-N,N-dimethyl-9H-fluoren-3-amine
CID 139683494
3-methoxy-9,10-dihydrophenanthrene-9-carboxamide
CID 154254625
(9R,18S,27R)-9,18,27-tris(3-methoxyphenyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11592706
1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol
CID 88897284
3-methoxy-10-(trifluoromethyl)-9,10-dihydrophenanthrene
CID 156693022
1-fluoro-9-(4-methoxyphenyl)-9H-fluorene
CID 135061174
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
2-[1-(2-methoxy-9H-fluoren-9-yl)ethyl]-1,3-dioxolane
CID 19978422
3-(3-methoxyphenyl)-2-nitro-3H-inden-1-amine
CID 101462777
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
1-inden-1-ylidene-6-methoxyindene
CID 85420344
ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate
CID 132522989

Frequently Asked Questions

What is the IUPAC name of 9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene?
The IUPAC name of 9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene (CID 23213774) is 9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene.
What is the SMILES notation for 9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene?
The canonical SMILES for 9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene is COc1ccc2c(c1)-c1ccccc1C2C1=CCC=C1.
What is the InChIKey of 9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene?
The InChIKey is DZQISHLEXNFGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c1-20-14-10-11-17-18(12-14)15-8-4-5-9-16(15)19(17)13-6-2-3-7-13/h2,4-12,19H,3H2,1H3.
What are the key properties of 9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene?
9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene has a molecular weight of 260.34 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene is sourced from PubChem (CID 23213774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).