4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol

C18H20O3 — CID 123357468

IUPAC4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol
SMILESCC1(C)CC(C)(c2ccc(O)cc2O)c2ccccc2O1
InChIInChI=1S/C18H20O3/c1-17(2)11-18(3,13-9-8-12(19)10-15(13)20)14-6-4-5-7-16(14)21-17/h4-10,19-20H,11H2,1-3H3
InChIKeyRHRZTJUWOMBMRJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.96
Rot. Bonds1

About 4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol

4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol (PubChem CID 123357468) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol
PubChem CID123357468
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol
SMILESCC1(C)CC(C)(c2ccc(O)cc2O)c2ccccc2O1
InChIInChI=1S/C18H20O3/c1-17(2)11-18(3,13-9-8-12(19)10-15(13)20)14-6-4-5-7-16(14)21-17/h4-10,19-20H,11H2,1-3H3
InChIKeyRHRZTJUWOMBMRJ-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol?
The IUPAC name of 4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol (CID 123357468) is 4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol?
The canonical SMILES for 4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol is CC1(C)CC(C)(c2ccc(O)cc2O)c2ccccc2O1.
What is the InChIKey of 4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol?
The InChIKey is RHRZTJUWOMBMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-17(2)11-18(3,13-9-8-12(19)10-15(13)20)14-6-4-5-7-16(14)21-17/h4-10,19-20H,11H2,1-3H3.
What are the key properties of 4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol?
4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol has a molecular weight of 284.36 g/mol, XLogP of 3.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol is sourced from PubChem (CID 123357468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).