9-(3-chlorophenyl)xanthen-9-ol

C19H13ClO2 — CID 86054563

IUPAC9-(3-chlorophenyl)xanthen-9-ol
SMILESOC1(c2cccc(Cl)c2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H13ClO2/c20-14-7-5-6-13(12-14)19(21)15-8-1-3-10-17(15)22-18-11-4-2-9-16(18)19/h1-12,21H
InChIKeyUROADHXGYJYXHL-UHFFFAOYSA-N
MW308.76 g/mol
LogP4.73
Rot. Bonds1

About 9-(3-chlorophenyl)xanthen-9-ol

9-(3-chlorophenyl)xanthen-9-ol (PubChem CID 86054563) has the molecular formula C19H13ClO2 and a molecular weight of 308.76 g/mol. Its IUPAC name is 9-(3-chlorophenyl)xanthen-9-ol.

Molecular Properties

Compound Name9-(3-chlorophenyl)xanthen-9-ol
PubChem CID86054563
Molecular FormulaC19H13ClO2
Molecular Weight308.76 g/mol
Exact Mass308.06
IUPAC Name9-(3-chlorophenyl)xanthen-9-ol
SMILESOC1(c2cccc(Cl)c2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H13ClO2/c20-14-7-5-6-13(12-14)19(21)15-8-1-3-10-17(15)22-18-11-4-2-9-16(18)19/h1-12,21H
InChIKeyUROADHXGYJYXHL-UHFFFAOYSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3-chlorophenyl)xanthen-9-ol?
The IUPAC name of 9-(3-chlorophenyl)xanthen-9-ol (CID 86054563) is 9-(3-chlorophenyl)xanthen-9-ol.
What is the SMILES notation for 9-(3-chlorophenyl)xanthen-9-ol?
The canonical SMILES for 9-(3-chlorophenyl)xanthen-9-ol is OC1(c2cccc(Cl)c2)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-(3-chlorophenyl)xanthen-9-ol?
The InChIKey is UROADHXGYJYXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClO2/c20-14-7-5-6-13(12-14)19(21)15-8-1-3-10-17(15)22-18-11-4-2-9-16(18)19/h1-12,21H.
What are the key properties of 9-(3-chlorophenyl)xanthen-9-ol?
9-(3-chlorophenyl)xanthen-9-ol has a molecular weight of 308.76 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chlorophenyl)xanthen-9-ol is sourced from PubChem (CID 86054563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).