9-(4-methoxyphenyl)xanthen-9-ol

C20H16O3 — CID 3439556

IUPAC9-(4-methoxyphenyl)xanthen-9-ol
SMILESCOc1ccc(C2(O)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C20H16O3/c1-22-15-12-10-14(11-13-15)20(21)16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13,21H,1H3
InChIKeyZYACEJZTEMQQEU-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.09
Rot. Bonds2

About 9-(4-methoxyphenyl)xanthen-9-ol

9-(4-methoxyphenyl)xanthen-9-ol (PubChem CID 3439556) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)xanthen-9-ol.

Molecular Properties

Compound Name9-(4-methoxyphenyl)xanthen-9-ol
PubChem CID3439556
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name9-(4-methoxyphenyl)xanthen-9-ol
SMILESCOc1ccc(C2(O)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C20H16O3/c1-22-15-12-10-14(11-13-15)20(21)16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13,21H,1H3
InChIKeyZYACEJZTEMQQEU-UHFFFAOYSA-N
XLogP4.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)xanthen-9-ol?
The IUPAC name of 9-(4-methoxyphenyl)xanthen-9-ol (CID 3439556) is 9-(4-methoxyphenyl)xanthen-9-ol.
What is the SMILES notation for 9-(4-methoxyphenyl)xanthen-9-ol?
The canonical SMILES for 9-(4-methoxyphenyl)xanthen-9-ol is COc1ccc(C2(O)c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)xanthen-9-ol?
The InChIKey is ZYACEJZTEMQQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-22-15-12-10-14(11-13-15)20(21)16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13,21H,1H3.
What are the key properties of 9-(4-methoxyphenyl)xanthen-9-ol?
9-(4-methoxyphenyl)xanthen-9-ol has a molecular weight of 304.35 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)xanthen-9-ol is sourced from PubChem (CID 3439556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).