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

C14H20O3 — CID 159272846

IUPAC7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(O)c(CO)cc2c1C(C)CC(C)(C)O2
InChIInChI=1S/C14H20O3/c1-8-6-14(3,4)17-11-5-10(7-15)13(16)9(2)12(8)11/h5,8,15-16H,6-7H2,1-4H3
InChIKeyYIKSCWFTSUAIIB-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.86
Rot. Bonds1

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

7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 159272846) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol
PubChem CID159272846
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(O)c(CO)cc2c1C(C)CC(C)(C)O2
InChIInChI=1S/C14H20O3/c1-8-6-14(3,4)17-11-5-10(7-15)13(16)9(2)12(8)11/h5,8,15-16H,6-7H2,1-4H3
InChIKeyYIKSCWFTSUAIIB-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
CID 154982719
7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
CID 70639080
5,7-diethyl-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 11715775
2,2,4-trimethyl-3,4-dihydrochromene-6,7-diol
CID 45093087
2,2,4-trimethyl-5-nitro-7-(2,4,4-trimethylpentan-2-yl)-3,4-dihydrochromen-6-ol
CID 91743505
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
7'-(hydroxymethyl)-7-methoxy-4,4,4',4',5'-pentamethyl-2,2'-spirobi[3H-chromene]-6,6'-diol
CID 162093098
7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol
CID 13123193
(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 162926407
(4R)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-amine
CID 42220652
6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene
CID 19787623
(5R,7S)-3,3,11-trimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-7-ol
CID 902842

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol (CID 159272846) is 7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol is Cc1c(O)c(CO)cc2c1C(C)CC(C)(C)O2.
What is the InChIKey of 7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol?
The InChIKey is YIKSCWFTSUAIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-8-6-14(3,4)17-11-5-10(7-15)13(16)9(2)12(8)11/h5,8,15-16H,6-7H2,1-4H3.
What are the key properties of 7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol?
7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 236.31 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-2,2,4,5-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 159272846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).