[3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol

C12H16O4 — CID 121010326

IUPAC[3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol
SMILESCOc1cccc2c1OCC(CO)(CO)C2
InChIInChI=1S/C12H16O4/c1-15-10-4-2-3-9-5-12(6-13,7-14)8-16-11(9)10/h2-4,13-14H,5-8H2,1H3
InChIKeyHQPQJJHHAXKHHS-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.60
Rot. Bonds3

About [3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol

[3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol (PubChem CID 121010326) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is [3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol
PubChem CID121010326
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name[3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol
SMILESCOc1cccc2c1OCC(CO)(CO)C2
InChIInChI=1S/C12H16O4/c1-15-10-4-2-3-9-5-12(6-13,7-14)8-16-11(9)10/h2-4,13-14H,5-8H2,1H3
InChIKeyHQPQJJHHAXKHHS-UHFFFAOYSA-N
XLogP0.60
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine
CID 84722416
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride
CID 126844423
[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
CID 66058999
8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
CID 115095090
[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
CID 115248930
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058
8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine
CID 70446962
9-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 84619158
[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62265112
1-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)carbamoyl]-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
CID 166300770
[(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol
CID 57332897

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol (CID 121010326) is [3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol is COc1cccc2c1OCC(CO)(CO)C2.
What is the InChIKey of [3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol?
The InChIKey is HQPQJJHHAXKHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-15-10-4-2-3-9-5-12(6-13,7-14)8-16-11(9)10/h2-4,13-14H,5-8H2,1H3.
What are the key properties of [3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol?
[3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol has a molecular weight of 224.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol is sourced from PubChem (CID 121010326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).