3-(2-methoxyphenyl)-9H-xanthen-1-ol

C20H16O3 — CID 151188423

IUPAC3-(2-methoxyphenyl)-9H-xanthen-1-ol
SMILESCOc1ccccc1-c1cc(O)c2c(c1)Oc1ccccc1C2
InChIInChI=1S/C20H16O3/c1-22-19-9-5-3-7-15(19)14-11-17(21)16-10-13-6-2-4-8-18(13)23-20(16)12-14/h2-9,11-12,21H,10H2,1H3
InChIKeyNFUKPIHXOJALGA-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.76
Rot. Bonds2

About 3-(2-methoxyphenyl)-9H-xanthen-1-ol

3-(2-methoxyphenyl)-9H-xanthen-1-ol (PubChem CID 151188423) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-9H-xanthen-1-ol.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-9H-xanthen-1-ol
PubChem CID151188423
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name3-(2-methoxyphenyl)-9H-xanthen-1-ol
SMILESCOc1ccccc1-c1cc(O)c2c(c1)Oc1ccccc1C2
InChIInChI=1S/C20H16O3/c1-22-19-9-5-3-7-15(19)14-11-17(21)16-10-13-6-2-4-8-18(13)23-20(16)12-14/h2-9,11-12,21H,10H2,1H3
InChIKeyNFUKPIHXOJALGA-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-9H-xanthen-1-ol?
The IUPAC name of 3-(2-methoxyphenyl)-9H-xanthen-1-ol (CID 151188423) is 3-(2-methoxyphenyl)-9H-xanthen-1-ol.
What is the SMILES notation for 3-(2-methoxyphenyl)-9H-xanthen-1-ol?
The canonical SMILES for 3-(2-methoxyphenyl)-9H-xanthen-1-ol is COc1ccccc1-c1cc(O)c2c(c1)Oc1ccccc1C2.
What is the InChIKey of 3-(2-methoxyphenyl)-9H-xanthen-1-ol?
The InChIKey is NFUKPIHXOJALGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-22-19-9-5-3-7-15(19)14-11-17(21)16-10-13-6-2-4-8-18(13)23-20(16)12-14/h2-9,11-12,21H,10H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-9H-xanthen-1-ol?
3-(2-methoxyphenyl)-9H-xanthen-1-ol has a molecular weight of 304.35 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-9H-xanthen-1-ol is sourced from PubChem (CID 151188423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).