2-chloro-9H-xanthen-9-ol

C13H9ClO2 — CID 12734111

IUPAC2-chloro-9H-xanthen-9-ol
SMILESOC1c2ccccc2Oc2ccc(Cl)cc21
InChIInChI=1S/C13H9ClO2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7,13,15H
InChIKeyALBITTMDLZFCRY-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.53
Rot. Bonds

About 2-chloro-9H-xanthen-9-ol

2-chloro-9H-xanthen-9-ol (PubChem CID 12734111) has the molecular formula C13H9ClO2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-chloro-9H-xanthen-9-ol.

Molecular Properties

Compound Name2-chloro-9H-xanthen-9-ol
PubChem CID12734111
Molecular FormulaC13H9ClO2
Molecular Weight232.67 g/mol
Exact Mass232.03
IUPAC Name2-chloro-9H-xanthen-9-ol
SMILESOC1c2ccccc2Oc2ccc(Cl)cc21
InChIInChI=1S/C13H9ClO2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7,13,15H
InChIKeyALBITTMDLZFCRY-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-6-ol
CID 78358085
(2S,6S)-9-chloro-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
CID 44568616
(2R,6S)-9-chloro-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene;hydrochloride
CID 131700489
(2R,6R)-9-chloro-4-(trideuterio(113C)methyl)-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene;hydrochloride
CID 163335309
3-phenyl-9H-xanthen-9-ol
CID 15685341
(2Z)-2-[(4-chlorophenyl)methylidene]-3H-1-benzofuran-3-ol
CID 24806533
[(2S,6S)-9-chloro-4-methyl-13-oxa-4-azoniatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl]methanol
CID 58356879
(E)-3-[(9R)-2-chloro-9H-xanthen-9-yl]-4-hydroxy-4-phenylbut-3-en-2-one
CID 2175959
methyl (5S,6S)-6-(aminomethyl)-3-chloro-5,6-dihydrobenzo[b][1]benzoxepine-5-carboxylate
CID 59800196
(5S,6S)-3-chloro-6-(methylaminomethyl)-5,6-dihydrobenzo[b][1]benzoxepine-5-carboxylic acid
CID 11961186
3-chloro-6-methoxy-9H-xanthen-9-ol
CID 21482902
[(5S,6S)-3-chloro-6-(methylaminomethyl)-5,6-dihydrobenzo[b][1]benzoxepin-5-yl]oxymethanol
CID 67568468

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9H-xanthen-9-ol?
The IUPAC name of 2-chloro-9H-xanthen-9-ol (CID 12734111) is 2-chloro-9H-xanthen-9-ol.
What is the SMILES notation for 2-chloro-9H-xanthen-9-ol?
The canonical SMILES for 2-chloro-9H-xanthen-9-ol is OC1c2ccccc2Oc2ccc(Cl)cc21.
What is the InChIKey of 2-chloro-9H-xanthen-9-ol?
The InChIKey is ALBITTMDLZFCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7,13,15H.
What are the key properties of 2-chloro-9H-xanthen-9-ol?
2-chloro-9H-xanthen-9-ol has a molecular weight of 232.67 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9H-xanthen-9-ol is sourced from PubChem (CID 12734111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).