2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol

C15H16O3 — CID 11964203

IUPAC2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol
SMILESCC1(C)Oc2c(cc(O)c3ccccc23)CC1O
InChIInChI=1S/C15H16O3/c1-15(2)13(17)8-9-7-12(16)10-5-3-4-6-11(10)14(9)18-15/h3-7,13,16-17H,8H2,1-2H3
InChIKeyZWRHWGOPTRKFBF-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.62
Rot. Bonds

About 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol

2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol (PubChem CID 11964203) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol
PubChem CID11964203
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol
SMILESCC1(C)Oc2c(cc(O)c3ccccc23)CC1O
InChIInChI=1S/C15H16O3/c1-15(2)13(17)8-9-7-12(16)10-5-3-4-6-11(10)14(9)18-15/h3-7,13,16-17H,8H2,1-2H3
InChIKeyZWRHWGOPTRKFBF-UHFFFAOYSA-N
XLogP2.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol?
The IUPAC name of 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol (CID 11964203) is 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol?
The canonical SMILES for 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol is CC1(C)Oc2c(cc(O)c3ccccc23)CC1O.
What is the InChIKey of 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol?
The InChIKey is ZWRHWGOPTRKFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-15(2)13(17)8-9-7-12(16)10-5-3-4-6-11(10)14(9)18-15/h3-7,13,16-17H,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol?
2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol has a molecular weight of 244.29 g/mol, XLogP of 2.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol is sourced from PubChem (CID 11964203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).