3-chloro-6-methoxy-9H-xanthen-9-ol

C14H11ClO3 — CID 21482902

IUPAC3-chloro-6-methoxy-9H-xanthen-9-ol
SMILESCOc1ccc2c(c1)Oc1cc(Cl)ccc1C2O
InChIInChI=1S/C14H11ClO3/c1-17-9-3-5-11-13(7-9)18-12-6-8(15)2-4-10(12)14(11)16/h2-7,14,16H,1H3
InChIKeyMXXRRRXEDWWVSL-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.54
Rot. Bonds1

About 3-chloro-6-methoxy-9H-xanthen-9-ol

3-chloro-6-methoxy-9H-xanthen-9-ol (PubChem CID 21482902) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 3-chloro-6-methoxy-9H-xanthen-9-ol.

Molecular Properties

Compound Name3-chloro-6-methoxy-9H-xanthen-9-ol
PubChem CID21482902
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name3-chloro-6-methoxy-9H-xanthen-9-ol
SMILESCOc1ccc2c(c1)Oc1cc(Cl)ccc1C2O
InChIInChI=1S/C14H11ClO3/c1-17-9-3-5-11-13(7-9)18-12-6-8(15)2-4-10(12)14(11)16/h2-7,14,16H,1H3
InChIKeyMXXRRRXEDWWVSL-UHFFFAOYSA-N
XLogP3.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-9H-xanthen-9-ol?
The IUPAC name of 3-chloro-6-methoxy-9H-xanthen-9-ol (CID 21482902) is 3-chloro-6-methoxy-9H-xanthen-9-ol.
What is the SMILES notation for 3-chloro-6-methoxy-9H-xanthen-9-ol?
The canonical SMILES for 3-chloro-6-methoxy-9H-xanthen-9-ol is COc1ccc2c(c1)Oc1cc(Cl)ccc1C2O.
What is the InChIKey of 3-chloro-6-methoxy-9H-xanthen-9-ol?
The InChIKey is MXXRRRXEDWWVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-17-9-3-5-11-13(7-9)18-12-6-8(15)2-4-10(12)14(11)16/h2-7,14,16H,1H3.
What are the key properties of 3-chloro-6-methoxy-9H-xanthen-9-ol?
3-chloro-6-methoxy-9H-xanthen-9-ol has a molecular weight of 262.69 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-9H-xanthen-9-ol is sourced from PubChem (CID 21482902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).