2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol

C18H20O4 — CID 154140524

IUPAC2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol
SMILESCC1(c2ccccc2O)Oc2cc(O)ccc2C(O)C1(C)C
InChIInChI=1S/C18H20O4/c1-17(2)16(21)12-9-8-11(19)10-15(12)22-18(17,3)13-6-4-5-7-14(13)20/h4-10,16,19-21H,1-3H3
InChIKeyFJMYXUZFNMRAKE-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.47
Rot. Bonds1

About 2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol

2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol (PubChem CID 154140524) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol
PubChem CID154140524
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol
SMILESCC1(c2ccccc2O)Oc2cc(O)ccc2C(O)C1(C)C
InChIInChI=1S/C18H20O4/c1-17(2)16(21)12-9-8-11(19)10-15(12)22-18(17,3)13-6-4-5-7-14(13)20/h4-10,16,19-21H,1-3H3
InChIKeyFJMYXUZFNMRAKE-UHFFFAOYSA-N
XLogP3.47
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol?
The IUPAC name of 2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol (CID 154140524) is 2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol.
What is the SMILES notation for 2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol?
The canonical SMILES for 2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol is CC1(c2ccccc2O)Oc2cc(O)ccc2C(O)C1(C)C.
What is the InChIKey of 2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol?
The InChIKey is FJMYXUZFNMRAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-17(2)16(21)12-9-8-11(19)10-15(12)22-18(17,3)13-6-4-5-7-14(13)20/h4-10,16,19-21H,1-3H3.
What are the key properties of 2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol?
2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol has a molecular weight of 300.35 g/mol, XLogP of 3.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol is sourced from PubChem (CID 154140524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).