1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol

C18H16O2 — CID 88897284

IUPAC1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol
SMILESC#CCC(O)C1c2ccccc2-c2cc(OC)ccc21
InChIInChI=1S/C18H16O2/c1-3-6-17(19)18-14-8-5-4-7-13(14)16-11-12(20-2)9-10-15(16)18/h1,4-5,7-11,17-19H,6H2,2H3
InChIKeyJUPHFWNKSYWQNE-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.19
Rot. Bonds3

About 1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol

1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol (PubChem CID 88897284) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol.

Molecular Properties

Compound Name1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol
PubChem CID88897284
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol
SMILESC#CCC(O)C1c2ccccc2-c2cc(OC)ccc21
InChIInChI=1S/C18H16O2/c1-3-6-17(19)18-14-8-5-4-7-13(14)16-11-12(20-2)9-10-15(16)18/h1,4-5,7-11,17-19H,6H2,2H3
InChIKeyJUPHFWNKSYWQNE-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxy-6-methyl-9,10-dihydroanthracen-9-yl)but-3-yn-1-ol
CID 58482061
2-(1-hydroxybut-3-ynyl)-6-methoxy-2,3-dihydroinden-1-one;2-(1-hydroxybut-3-ynyl)-3-oxo-1,2-dihydroindene-4-carbonitrile
CID 123569242
10-[(1R)-1-(4-methoxyphenyl)prop-2-ynyl]-10H-anthracen-9-one
CID 156782760
1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol
CID 88896998
2-[1-(2-methoxy-9H-fluoren-9-yl)ethyl]-1,3-dioxolane
CID 19978422
9-cyclopenta-1,4-dien-1-yl-3-methoxy-9H-fluorene
CID 23213774
1-hept-1-yn-4-yl-3-methoxybenzene
CID 83928957
1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
CID 60903384
ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate
CID 132522989
3-methoxy-9,10-dihydrophenanthrene-9-carboxamide
CID 154254625
14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 22085729
(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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol?
The IUPAC name of 1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol (CID 88897284) is 1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol.
What is the SMILES notation for 1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol?
The canonical SMILES for 1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol is C#CCC(O)C1c2ccccc2-c2cc(OC)ccc21.
What is the InChIKey of 1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol?
The InChIKey is JUPHFWNKSYWQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-3-6-17(19)18-14-8-5-4-7-13(14)16-11-12(20-2)9-10-15(16)18/h1,4-5,7-11,17-19H,6H2,2H3.
What are the key properties of 1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol?
1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol has a molecular weight of 264.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-9H-fluoren-9-yl)but-3-yn-1-ol is sourced from PubChem (CID 88897284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).