(10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol

C17H16O2S — CID 125463645

IUPAC(10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol
SMILESC=CCC1(CO)c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C17H16O2S/c1-2-11-17(12-18)13-7-3-5-9-15(13)20(19)16-10-6-4-8-14(16)17/h2-10,18H,1,11-12H2
InChIKeyPQKYNKRVAIEFAX-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.02
Rot. Bonds3

About (10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol

(10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol (PubChem CID 125463645) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is (10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol.

Molecular Properties

Compound Name(10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol
PubChem CID125463645
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name(10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol
SMILESC=CCC1(CO)c2ccccc2S(=O)c2ccccc21
InChIInChI=1S/C17H16O2S/c1-2-11-17(12-18)13-7-3-5-9-15(13)20(19)16-10-6-4-8-14(16)17/h2-10,18H,1,11-12H2
InChIKeyPQKYNKRVAIEFAX-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
CID 132572568
3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
CID 132572570
2-(9-prop-2-enylfluoren-9-yl)ethanol
CID 11391058
1-chloro-9,9-bis(prop-2-enyl)fluorene
CID 174649432
9,9,18,18,27,27-hexakis(prop-2-enyl)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 11628484
[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol
CID 18626557
[(3S)-1,1-dioxo-3-prop-2-enyl-2H-1,2-benzothiazol-3-yl]methanol
CID 134961236
(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
CID 102179958
(7R)-7-prop-2-enylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 100988172
[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 118321624
1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one
CID 174822962
(9-benzyl-10-oxothioxanthen-9-yl) 2-methylprop-2-enoate
CID 67891182

Frequently Asked Questions

What is the IUPAC name of (10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol?
The IUPAC name of (10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol (CID 125463645) is (10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol.
What is the SMILES notation for (10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol?
The canonical SMILES for (10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol is C=CCC1(CO)c2ccccc2S(=O)c2ccccc21.
What is the InChIKey of (10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol?
The InChIKey is PQKYNKRVAIEFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2S/c1-2-11-17(12-18)13-7-3-5-9-15(13)20(19)16-10-6-4-8-14(16)17/h2-10,18H,1,11-12H2.
What are the key properties of (10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol?
(10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol has a molecular weight of 284.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10-oxo-9-prop-2-enylthioxanthen-9-yl)methanol is sourced from PubChem (CID 125463645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).