2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol

C18H20O3 — CID 59266852

IUPAC2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol
SMILESCC1(C)CC(C)(c2ccc(O)cc2)Oc2c(O)cccc21
InChIInChI=1S/C18H20O3/c1-17(2)11-18(3,12-7-9-13(19)10-8-12)21-16-14(17)5-4-6-15(16)20/h4-10,19-20H,11H2,1-3H3
InChIKeyWPSJQYUTTZWEIQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.07
Rot. Bonds1

About 2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol

2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol (PubChem CID 59266852) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol
PubChem CID59266852
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol
SMILESCC1(C)CC(C)(c2ccc(O)cc2)Oc2c(O)cccc21
InChIInChI=1S/C18H20O3/c1-17(2)11-18(3,12-7-9-13(19)10-8-12)21-16-14(17)5-4-6-15(16)20/h4-10,19-20H,11H2,1-3H3
InChIKeyWPSJQYUTTZWEIQ-UHFFFAOYSA-N
XLogP4.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol (CID 59266852) is 2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol is CC1(C)CC(C)(c2ccc(O)cc2)Oc2c(O)cccc21.
What is the InChIKey of 2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol?
The InChIKey is WPSJQYUTTZWEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-17(2)11-18(3,12-7-9-13(19)10-8-12)21-16-14(17)5-4-6-15(16)20/h4-10,19-20H,11H2,1-3H3.
What are the key properties of 2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol?
2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol has a molecular weight of 284.36 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol is sourced from PubChem (CID 59266852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).