5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol

C15H22O3 — CID 11622944

IUPAC5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(CCO)c1O)CCC(C)(C)O2
InChIInChI=1S/C15H22O3/c1-9-10(2)14-12(5-7-15(3,4)18-14)11(6-8-16)13(9)17/h16-17H,5-8H2,1-4H3
InChIKeyWNLQJGACMQOUNB-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.65
Rot. Bonds2

About 5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol

5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 11622944) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
PubChem CID11622944
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(CCO)c1O)CCC(C)(C)O2
InChIInChI=1S/C15H22O3/c1-9-10(2)14-12(5-7-15(3,4)18-14)11(6-8-16)13(9)17/h16-17H,5-8H2,1-4H3
InChIKeyWNLQJGACMQOUNB-UHFFFAOYSA-N
XLogP2.65
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 11622944) is 5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(CCO)c1O)CCC(C)(C)O2.
What is the InChIKey of 5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The InChIKey is WNLQJGACMQOUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-10(2)14-12(5-7-15(3,4)18-14)11(6-8-16)13(9)17/h16-17H,5-8H2,1-4H3.
What are the key properties of 5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 250.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 11622944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).