2-(4-hydroxybut-1-enyl)fluoren-9-one

C17H14O2 — CID 170477537

IUPAC2-(4-hydroxybut-1-enyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(C=CCCO)cc21
InChIInChI=1S/C17H14O2/c18-10-4-3-5-12-8-9-14-13-6-1-2-7-15(13)17(19)16(14)11-12/h1-3,5-9,11,18H,4,10H2
InChIKeyCHXHRMDLBCMDGT-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.29
Rot. Bonds3

About 2-(4-hydroxybut-1-enyl)fluoren-9-one

2-(4-hydroxybut-1-enyl)fluoren-9-one (PubChem CID 170477537) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-hydroxybut-1-enyl)fluoren-9-one.

Molecular Properties

Compound Name2-(4-hydroxybut-1-enyl)fluoren-9-one
PubChem CID170477537
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name2-(4-hydroxybut-1-enyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(C=CCCO)cc21
InChIInChI=1S/C17H14O2/c18-10-4-3-5-12-8-9-14-13-6-1-2-7-15(13)17(19)16(14)11-12/h1-3,5-9,11,18H,4,10H2
InChIKeyCHXHRMDLBCMDGT-UHFFFAOYSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminobut-1-enyl)fluoren-9-one
CID 170487895
2-(4-sulfanylbut-1-enyl)fluoren-9-one
CID 170479323
2-(12-sulfanyldodec-1-enyl)anthracene-9,10-dione
CID 71375283
3-(3-bromoprop-1-enyl)phenanthrene-9,10-dione
CID 169476439
6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one
CID 170476722
4-naphthalen-2-ylbut-3-en-1-ol
CID 54291326
2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione
CID 175395708
2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione
CID 15152091
2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione
CID 175395757
tert-butyl N-[4-(9,10-dioxophenanthren-3-yl)but-3-enyl]carbamate
CID 170491480
4-(9H-carbazol-2-yl)but-3-en-1-ol
CID 170477509
6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one
CID 170477313

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybut-1-enyl)fluoren-9-one?
The IUPAC name of 2-(4-hydroxybut-1-enyl)fluoren-9-one (CID 170477537) is 2-(4-hydroxybut-1-enyl)fluoren-9-one.
What is the SMILES notation for 2-(4-hydroxybut-1-enyl)fluoren-9-one?
The canonical SMILES for 2-(4-hydroxybut-1-enyl)fluoren-9-one is O=C1c2ccccc2-c2ccc(C=CCCO)cc21.
What is the InChIKey of 2-(4-hydroxybut-1-enyl)fluoren-9-one?
The InChIKey is CHXHRMDLBCMDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c18-10-4-3-5-12-8-9-14-13-6-1-2-7-15(13)17(19)16(14)11-12/h1-3,5-9,11,18H,4,10H2.
What are the key properties of 2-(4-hydroxybut-1-enyl)fluoren-9-one?
2-(4-hydroxybut-1-enyl)fluoren-9-one has a molecular weight of 250.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybut-1-enyl)fluoren-9-one is sourced from PubChem (CID 170477537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).