3-[(E)-prop-1-enyl]-2H-chromen-2-ol

C12H12O2 — CID 146369233

IUPAC3-[(E)-prop-1-enyl]-2H-chromen-2-ol
SMILESC/C=C/C1=Cc2ccccc2OC1O
InChIInChI=1S/C12H12O2/c1-2-5-10-8-9-6-3-4-7-11(9)14-12(10)13/h2-8,12-13H,1H3/b5-2+
InChIKeyNIPSSCPWNHXHRM-GORDUTHDSA-N
MW188.23 g/mol
LogP2.36
Rot. Bonds1

About 3-[(E)-prop-1-enyl]-2H-chromen-2-ol

3-[(E)-prop-1-enyl]-2H-chromen-2-ol (PubChem CID 146369233) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]-2H-chromen-2-ol.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]-2H-chromen-2-ol
PubChem CID146369233
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name3-[(E)-prop-1-enyl]-2H-chromen-2-ol
SMILESC/C=C/C1=Cc2ccccc2OC1O
InChIInChI=1S/C12H12O2/c1-2-5-10-8-9-6-3-4-7-11(9)14-12(10)13/h2-8,12-13H,1H3/b5-2+
InChIKeyNIPSSCPWNHXHRM-GORDUTHDSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]-2H-chromen-2-ol?
The IUPAC name of 3-[(E)-prop-1-enyl]-2H-chromen-2-ol (CID 146369233) is 3-[(E)-prop-1-enyl]-2H-chromen-2-ol.
What is the SMILES notation for 3-[(E)-prop-1-enyl]-2H-chromen-2-ol?
The canonical SMILES for 3-[(E)-prop-1-enyl]-2H-chromen-2-ol is C/C=C/C1=Cc2ccccc2OC1O.
What is the InChIKey of 3-[(E)-prop-1-enyl]-2H-chromen-2-ol?
The InChIKey is NIPSSCPWNHXHRM-GORDUTHDSA-N. The full InChI is InChI=1S/C12H12O2/c1-2-5-10-8-9-6-3-4-7-11(9)14-12(10)13/h2-8,12-13H,1H3/b5-2+.
What are the key properties of 3-[(E)-prop-1-enyl]-2H-chromen-2-ol?
3-[(E)-prop-1-enyl]-2H-chromen-2-ol has a molecular weight of 188.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]-2H-chromen-2-ol is sourced from PubChem (CID 146369233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).