4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol

C20H18O4 — CID 74027046

IUPAC4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol
SMILESCOc1ccc(-c2ccc3cccc4c3c2C(O)C(O)C4O)cc1
InChIInChI=1S/C20H18O4/c1-24-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(22)20(23)18(15)21/h2-10,18-23H,1H3
InChIKeyUBACNSNNFBHJLG-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.96
Rot. Bonds2

About 4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol

4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol (PubChem CID 74027046) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol
PubChem CID74027046
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol
SMILESCOc1ccc(-c2ccc3cccc4c3c2C(O)C(O)C4O)cc1
InChIInChI=1S/C20H18O4/c1-24-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(22)20(23)18(15)21/h2-10,18-23H,1H3
InChIKeyUBACNSNNFBHJLG-UHFFFAOYSA-N
XLogP2.96
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol?
The IUPAC name of 4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol (CID 74027046) is 4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol?
The canonical SMILES for 4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol is COc1ccc(-c2ccc3cccc4c3c2C(O)C(O)C4O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol?
The InChIKey is UBACNSNNFBHJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-24-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(22)20(23)18(15)21/h2-10,18-23H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol?
4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol has a molecular weight of 322.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol is sourced from PubChem (CID 74027046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).