2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol

C16H22O2 — CID 19877385

IUPAC2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol
SMILESC=CCc1c(C)c(O)c(C)c2c1OC(C)(C)CC2
InChIInChI=1S/C16H22O2/c1-6-7-12-10(2)14(17)11(3)13-8-9-16(4,5)18-15(12)13/h6,17H,1,7-9H2,2-5H3
InChIKeyJGARJPGMEBPRNZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.84
Rot. Bonds2

About 2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol

2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol (PubChem CID 19877385) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol
PubChem CID19877385
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol
SMILESC=CCc1c(C)c(O)c(C)c2c1OC(C)(C)CC2
InChIInChI=1S/C16H22O2/c1-6-7-12-10(2)14(17)11(3)13-8-9-16(4,5)18-15(12)13/h6,17H,1,7-9H2,2-5H3
InChIKeyJGARJPGMEBPRNZ-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol (CID 19877385) is 2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol is C=CCc1c(C)c(O)c(C)c2c1OC(C)(C)CC2.
What is the InChIKey of 2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol?
The InChIKey is JGARJPGMEBPRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-6-7-12-10(2)14(17)11(3)13-8-9-16(4,5)18-15(12)13/h6,17H,1,7-9H2,2-5H3.
What are the key properties of 2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol?
2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol has a molecular weight of 246.35 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 19877385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).