3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol

C23H22O — CID 87997674

IUPAC3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol
SMILESCC=c1ccc2c(c1C1=CC(CCCO)=CC1)C=c1ccccc1=2
InChIInChI=1S/C23H22O/c1-2-17-11-12-21-20-8-4-3-7-18(20)15-22(21)23(17)19-10-9-16(14-19)6-5-13-24/h2-4,7-9,11-12,14-15,24H,5-6,10,13H2,1H3
InChIKeyJVSOIKGGZHRZLK-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.40
Rot. Bonds4

About 3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol

3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol (PubChem CID 87997674) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol
PubChem CID87997674
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol
SMILESCC=c1ccc2c(c1C1=CC(CCCO)=CC1)C=c1ccccc1=2
InChIInChI=1S/C23H22O/c1-2-17-11-12-21-20-8-4-3-7-18(20)15-22(21)23(17)19-10-9-16(14-19)6-5-13-24/h2-4,7-9,11-12,14-15,24H,5-6,10,13H2,1H3
InChIKeyJVSOIKGGZHRZLK-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(2-ethylidene-9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol;zirconium(3+);dichloride
CID 87997673
3-[3-(2-ethylidenefluoren-1-yl)-3H-inden-1-yl]propan-1-ol
CID 87997559
1-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene
CID 22149518
cyclopenta[a]fluoren-1-yl(dimethoxy)silane
CID 160805248
nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene
CID 173159770
1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene
CID 21263272
indeno[2,1-f]quinolin-1-one
CID 154129732
cyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+)
CID 87773413
2-[4-(1-ethylideneinden-2-yl)cyclopenta-1,4-dien-1-yl]oxyethanol
CID 87993799
bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+)
CID 87649127
N-methylmethanamine;3-phenylpropan-1-ol
CID 174893841
3-[2-(3-ethylidene-1H-inden-1-id-2-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol;zirconium(3+);dichloride
CID 87993443

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol (CID 87997674) is 3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol is CC=c1ccc2c(c1C1=CC(CCCO)=CC1)C=c1ccccc1=2.
What is the InChIKey of 3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol?
The InChIKey is JVSOIKGGZHRZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O/c1-2-17-11-12-21-20-8-4-3-7-18(20)15-22(21)23(17)19-10-9-16(14-19)6-5-13-24/h2-4,7-9,11-12,14-15,24H,5-6,10,13H2,1H3.
What are the key properties of 3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol?
3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol has a molecular weight of 314.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethylidenefluoren-1-yl)cyclopenta-1,4-dien-1-yl]propan-1-ol is sourced from PubChem (CID 87997674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).