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

C14H20O3 — CID 11746632

IUPAC2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CO)O2
InChIInChI=1S/C14H20O3/c1-8-9(2)13-11(10(3)12(8)16)5-6-14(4,7-15)17-13/h15-16H,5-7H2,1-4H3
InChIKeyPKYWXDRQTMJSJK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.39
Rot. Bonds1

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

2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 11746632) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
PubChem CID11746632
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CO)O2
InChIInChI=1S/C14H20O3/c1-8-9(2)13-11(10(3)12(8)16)5-6-14(4,7-15)17-13/h15-16H,5-7H2,1-4H3
InChIKeyPKYWXDRQTMJSJK-UHFFFAOYSA-N
XLogP2.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-Tocopherol
CID 14985
DL-alpha-Tocopherol
CID 2116
Tocopherols
CID 14986
(+)-gamma-Tocopherol
CID 92729
2,2,5,7,8-Pentamethyl-6-chromanol
CID 99479
Gamma-Tocotrienol
CID 5282349
Alpha-Tocotrienol
CID 5282347
Trolox
CID 40634
Beta-Tocopherol
CID 6857447
beta-Tocotrienol
CID 5282348
Covi-Ox
CID 6560141
Hthq
CID 119193

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 11746632) is 2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(CO)O2.
What is the InChIKey of 2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The InChIKey is PKYWXDRQTMJSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-8-9(2)13-11(10(3)12(8)16)5-6-14(4,7-15)17-13/h15-16H,5-7H2,1-4H3.
What are the key properties of 2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 236.31 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 11746632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).