(9-hexylxanthen-9-yl)methanol

C20H24O2 — CID 59778269

IUPAC(9-hexylxanthen-9-yl)methanol
SMILESCCCCCCC1(CO)c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H24O2/c1-2-3-4-9-14-20(15-21)16-10-5-7-12-18(16)22-19-13-8-6-11-17(19)20/h5-8,10-13,21H,2-4,9,14-15H2,1H3
InChIKeyZHTKGQOSHMNGLE-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.04
Rot. Bonds6

About (9-hexylxanthen-9-yl)methanol

(9-hexylxanthen-9-yl)methanol (PubChem CID 59778269) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is (9-hexylxanthen-9-yl)methanol.

Molecular Properties

Compound Name(9-hexylxanthen-9-yl)methanol
PubChem CID59778269
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name(9-hexylxanthen-9-yl)methanol
SMILESCCCCCCC1(CO)c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H24O2/c1-2-3-4-9-14-20(15-21)16-10-5-7-12-18(16)22-19-13-8-6-11-17(19)20/h5-8,10-13,21H,2-4,9,14-15H2,1H3
InChIKeyZHTKGQOSHMNGLE-UHFFFAOYSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-diethylxanthene
CID 22447430
3-nonyl-3-phenyl-1-benzofuran-2-one
CID 23503882
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 144608460
(9-methylxanthen-9-yl)methanol
CID 57435258
5-(2-hexyl-1,3-benzodioxol-2-yl)pentan-1-ol
CID 46211086
[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 118321624
[(3S)-3-heptyl-2H-1,4-benzodioxin-3-yl]methanol
CID 124674979
[9-(3-ethoxypropyl)xanthen-9-yl]methanamine
CID 59778276
4-methyl-4-pentyl-3H-chromen-2-one
CID 13229905
[(3R)-3-heptyl-2H-1,4-benzodioxin-3-yl]methanol
CID 124674980

Frequently Asked Questions

What is the IUPAC name of (9-hexylxanthen-9-yl)methanol?
The IUPAC name of (9-hexylxanthen-9-yl)methanol (CID 59778269) is (9-hexylxanthen-9-yl)methanol.
What is the SMILES notation for (9-hexylxanthen-9-yl)methanol?
The canonical SMILES for (9-hexylxanthen-9-yl)methanol is CCCCCCC1(CO)c2ccccc2Oc2ccccc21.
What is the InChIKey of (9-hexylxanthen-9-yl)methanol?
The InChIKey is ZHTKGQOSHMNGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-2-3-4-9-14-20(15-21)16-10-5-7-12-18(16)22-19-13-8-6-11-17(19)20/h5-8,10-13,21H,2-4,9,14-15H2,1H3.
What are the key properties of (9-hexylxanthen-9-yl)methanol?
(9-hexylxanthen-9-yl)methanol has a molecular weight of 296.41 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-hexylxanthen-9-yl)methanol is sourced from PubChem (CID 59778269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).