3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol

C18H18O4 — CID 58913608

IUPAC3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol
SMILESCOc1ccc(C2=C(C)Oc3c(ccc(O)c3C)C2O)cc1
InChIInChI=1S/C18H18O4/c1-10-15(19)9-8-14-17(20)16(11(2)22-18(10)14)12-4-6-13(21-3)7-5-12/h4-9,17,19-20H,1-3H3
InChIKeyNLYCVGDBAWKMBS-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.57
Rot. Bonds2

About 3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol

3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol (PubChem CID 58913608) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol
PubChem CID58913608
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol
SMILESCOc1ccc(C2=C(C)Oc3c(ccc(O)c3C)C2O)cc1
InChIInChI=1S/C18H18O4/c1-10-15(19)9-8-14-17(20)16(11(2)22-18(10)14)12-4-6-13(21-3)7-5-12/h4-9,17,19-20H,1-3H3
InChIKeyNLYCVGDBAWKMBS-UHFFFAOYSA-N
XLogP3.57
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol?
The IUPAC name of 3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol (CID 58913608) is 3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol.
What is the SMILES notation for 3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol?
The canonical SMILES for 3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol is COc1ccc(C2=C(C)Oc3c(ccc(O)c3C)C2O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol?
The InChIKey is NLYCVGDBAWKMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-10-15(19)9-8-14-17(20)16(11(2)22-18(10)14)12-4-6-13(21-3)7-5-12/h4-9,17,19-20H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol?
3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol has a molecular weight of 298.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol is sourced from PubChem (CID 58913608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).