1-(2H-chromen-3-yl)ethanol

C11H12O2 — CID 11389708

IUPAC1-(2H-chromen-3-yl)ethanol
SMILESCC(O)C1=Cc2ccccc2OC1
InChIInChI=1S/C11H12O2/c1-8(12)10-6-9-4-2-3-5-11(9)13-7-10/h2-6,8,12H,7H2,1H3
InChIKeyLSRTVPYWKHSFLK-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.84
Rot. Bonds1

About 1-(2H-chromen-3-yl)ethanol

1-(2H-chromen-3-yl)ethanol (PubChem CID 11389708) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(2H-chromen-3-yl)ethanol.

Molecular Properties

Compound Name1-(2H-chromen-3-yl)ethanol
PubChem CID11389708
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name1-(2H-chromen-3-yl)ethanol
SMILESCC(O)C1=Cc2ccccc2OC1
InChIInChI=1S/C11H12O2/c1-8(12)10-6-9-4-2-3-5-11(9)13-7-10/h2-6,8,12H,7H2,1H3
InChIKeyLSRTVPYWKHSFLK-UHFFFAOYSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-chromen-3-yl)ethanol?
The IUPAC name of 1-(2H-chromen-3-yl)ethanol (CID 11389708) is 1-(2H-chromen-3-yl)ethanol.
What is the SMILES notation for 1-(2H-chromen-3-yl)ethanol?
The canonical SMILES for 1-(2H-chromen-3-yl)ethanol is CC(O)C1=Cc2ccccc2OC1.
What is the InChIKey of 1-(2H-chromen-3-yl)ethanol?
The InChIKey is LSRTVPYWKHSFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-8(12)10-6-9-4-2-3-5-11(9)13-7-10/h2-6,8,12H,7H2,1H3.
What are the key properties of 1-(2H-chromen-3-yl)ethanol?
1-(2H-chromen-3-yl)ethanol has a molecular weight of 176.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-chromen-3-yl)ethanol is sourced from PubChem (CID 11389708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).