2-(2,2-dimethylchromen-6-yl)ethanol

C13H16O2 — CID 637149

IUPAC2-(2,2-dimethylchromen-6-yl)ethanol
SMILESCC1(C)C=Cc2cc(CCO)ccc2O1
InChIInChI=1S/C13H16O2/c1-13(2)7-5-11-9-10(6-8-14)3-4-12(11)15-13/h3-5,7,9,14H,6,8H2,1-2H3
InChIKeyLYDCGGUVPCALHC-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.41
Rot. Bonds2

About 2-(2,2-dimethylchromen-6-yl)ethanol

2-(2,2-dimethylchromen-6-yl)ethanol (PubChem CID 637149) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(2,2-dimethylchromen-6-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-dimethylchromen-6-yl)ethanol
PubChem CID637149
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-(2,2-dimethylchromen-6-yl)ethanol
SMILESCC1(C)C=Cc2cc(CCO)ccc2O1
InChIInChI=1S/C13H16O2/c1-13(2)7-5-11-9-10(6-8-14)3-4-12(11)15-13/h3-5,7,9,14H,6,8H2,1-2H3
InChIKeyLYDCGGUVPCALHC-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylchromen-6-yl)ethanol?
The IUPAC name of 2-(2,2-dimethylchromen-6-yl)ethanol (CID 637149) is 2-(2,2-dimethylchromen-6-yl)ethanol.
What is the SMILES notation for 2-(2,2-dimethylchromen-6-yl)ethanol?
The canonical SMILES for 2-(2,2-dimethylchromen-6-yl)ethanol is CC1(C)C=Cc2cc(CCO)ccc2O1.
What is the InChIKey of 2-(2,2-dimethylchromen-6-yl)ethanol?
The InChIKey is LYDCGGUVPCALHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(2)7-5-11-9-10(6-8-14)3-4-12(11)15-13/h3-5,7,9,14H,6,8H2,1-2H3.
What are the key properties of 2-(2,2-dimethylchromen-6-yl)ethanol?
2-(2,2-dimethylchromen-6-yl)ethanol has a molecular weight of 204.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylchromen-6-yl)ethanol is sourced from PubChem (CID 637149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).