2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol

C20H16O3 — CID 175191618

IUPAC2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol
SMILESCOc1ccc(C2C=Cc3c(O)cc4ccccc4c3O2)cc1
InChIInChI=1S/C20H16O3/c1-22-15-8-6-13(7-9-15)19-11-10-17-18(21)12-14-4-2-3-5-16(14)20(17)23-19/h2-12,19,21H,1H3
InChIKeyQDGXFIMPWVAQBN-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.70
Rot. Bonds2

About 2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol

2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol (PubChem CID 175191618) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol
PubChem CID175191618
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol
SMILESCOc1ccc(C2C=Cc3c(O)cc4ccccc4c3O2)cc1
InChIInChI=1S/C20H16O3/c1-22-15-8-6-13(7-9-15)19-11-10-17-18(21)12-14-4-2-3-5-16(14)20(17)23-19/h2-12,19,21H,1H3
InChIKeyQDGXFIMPWVAQBN-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol?
The IUPAC name of 2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol (CID 175191618) is 2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol?
The canonical SMILES for 2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol is COc1ccc(C2C=Cc3c(O)cc4ccccc4c3O2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol?
The InChIKey is QDGXFIMPWVAQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-22-15-8-6-13(7-9-15)19-11-10-17-18(21)12-14-4-2-3-5-16(14)20(17)23-19/h2-12,19,21H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol?
2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol has a molecular weight of 304.35 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2H-benzo[h]chromen-5-ol is sourced from PubChem (CID 175191618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).