(4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium

C10H13O3+ — CID 163140527

IUPAC(4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium
SMILES[H]/[O+]=C1\CCCC2=C1C(O)=C(C)CO2
InChIInChI=1S/C10H12O3/c1-6-5-13-8-4-2-3-7(11)9(8)10(6)12/h12H,2-5H2,1H3/p+1
InChIKeyJPLDAQIJLFVYDE-UHFFFAOYSA-O
MW181.21 g/mol
LogP1.83
Rot. Bonds

About (4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium

(4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium (PubChem CID 163140527) has the molecular formula C10H13O3+ and a molecular weight of 181.21 g/mol. Its IUPAC name is (4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium.

Molecular Properties

Compound Name(4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium
PubChem CID163140527
Molecular FormulaC10H13O3+
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium
SMILES[H]/[O+]=C1\CCCC2=C1C(O)=C(C)CO2
InChIInChI=1S/C10H12O3/c1-6-5-13-8-4-2-3-7(11)9(8)10(6)12/h12H,2-5H2,1H3/p+1
InChIKeyJPLDAQIJLFVYDE-UHFFFAOYSA-O
XLogP1.83
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-5-oxo-5,6,7,8-tetrahydrocoumarin
CID 54710007
2-(Butoxymethyl)-3-hydroxycyclohex-2-en-1-one
CID 17802941
8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one
CID 141228599
8-Chloro-7-methoxy-2,3,5,6-tetrahydrochromen-4-one
CID 157508051
1-(2-Hydroxy-6-oxocyclohexen-1-yl)ethenyl acetate
CID 101237588
[1-(2-Hydroxy-6-oxocyclohexen-1-yl)-2-methylprop-1-enyl] acetate
CID 101237593
3-Acetyl-4-hydroxy-5,6,7,8-tetrahydrochromen-2-one
CID 121221008
4-Hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-one
CID 163140528

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium?
The IUPAC name of (4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium (CID 163140527) is (4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium.
What is the SMILES notation for (4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium?
The canonical SMILES for (4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium is [H]/[O+]=C1\CCCC2=C1C(O)=C(C)CO2.
What is the InChIKey of (4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium?
The InChIKey is JPLDAQIJLFVYDE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12O3/c1-6-5-13-8-4-2-3-7(11)9(8)10(6)12/h12H,2-5H2,1H3/p+1.
What are the key properties of (4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium?
(4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium has a molecular weight of 181.21 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium is sourced from PubChem (CID 163140527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).