2,2,5-trimethylbenzo[h]chromene-4,6-diol

C16H16O3 — CID 139774652

IUPAC2,2,5-trimethylbenzo[h]chromene-4,6-diol
SMILESCc1c2c(c3ccccc3c1O)OC(C)(C)C=C2O
InChIInChI=1S/C16H16O3/c1-9-13-12(17)8-16(2,3)19-15(13)11-7-5-4-6-10(11)14(9)18/h4-8,17-18H,1-3H3
InChIKeyWXKCKZSHNSEVML-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.92
Rot. Bonds

About 2,2,5-trimethylbenzo[h]chromene-4,6-diol

2,2,5-trimethylbenzo[h]chromene-4,6-diol (PubChem CID 139774652) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2,2,5-trimethylbenzo[h]chromene-4,6-diol.

Molecular Properties

Compound Name2,2,5-trimethylbenzo[h]chromene-4,6-diol
PubChem CID139774652
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2,2,5-trimethylbenzo[h]chromene-4,6-diol
SMILESCc1c2c(c3ccccc3c1O)OC(C)(C)C=C2O
InChIInChI=1S/C16H16O3/c1-9-13-12(17)8-16(2,3)19-15(13)11-7-5-4-6-10(11)14(9)18/h4-8,17-18H,1-3H3
InChIKeyWXKCKZSHNSEVML-UHFFFAOYSA-N
XLogP3.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethylbenzo[h]chromene-4,6-diol?
The IUPAC name of 2,2,5-trimethylbenzo[h]chromene-4,6-diol (CID 139774652) is 2,2,5-trimethylbenzo[h]chromene-4,6-diol.
What is the SMILES notation for 2,2,5-trimethylbenzo[h]chromene-4,6-diol?
The canonical SMILES for 2,2,5-trimethylbenzo[h]chromene-4,6-diol is Cc1c2c(c3ccccc3c1O)OC(C)(C)C=C2O.
What is the InChIKey of 2,2,5-trimethylbenzo[h]chromene-4,6-diol?
The InChIKey is WXKCKZSHNSEVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-9-13-12(17)8-16(2,3)19-15(13)11-7-5-4-6-10(11)14(9)18/h4-8,17-18H,1-3H3.
What are the key properties of 2,2,5-trimethylbenzo[h]chromene-4,6-diol?
2,2,5-trimethylbenzo[h]chromene-4,6-diol has a molecular weight of 256.30 g/mol, XLogP of 3.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethylbenzo[h]chromene-4,6-diol is sourced from PubChem (CID 139774652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).