(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate

C14H18O4 — CID 70637977

IUPAC(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate
SMILESCC(=O)OC1(C)CCc2cc(O)c(C)c(C)c2O1
InChIInChI=1S/C14H18O4/c1-8-9(2)13-11(7-12(8)16)5-6-14(4,18-13)17-10(3)15/h7,16H,5-6H2,1-4H3
InChIKeyMTOAYSLZAORVDT-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.61
Rot. Bonds1

About (6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate

(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate (PubChem CID 70637977) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate.

Molecular Properties

Compound Name(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate
PubChem CID70637977
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate
SMILESCC(=O)OC1(C)CCc2cc(O)c(C)c(C)c2O1
InChIInChI=1S/C14H18O4/c1-8-9(2)13-11(7-12(8)16)5-6-14(4,18-13)17-10(3)15/h7,16H,5-6H2,1-4H3
InChIKeyMTOAYSLZAORVDT-UHFFFAOYSA-N
XLogP2.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate?
The IUPAC name of (6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate (CID 70637977) is (6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate.
What is the SMILES notation for (6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate?
The canonical SMILES for (6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate is CC(=O)OC1(C)CCc2cc(O)c(C)c(C)c2O1.
What is the InChIKey of (6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate?
The InChIKey is MTOAYSLZAORVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-8-9(2)13-11(7-12(8)16)5-6-14(4,18-13)17-10(3)15/h7,16H,5-6H2,1-4H3.
What are the key properties of (6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate?
(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate has a molecular weight of 250.29 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate is sourced from PubChem (CID 70637977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).