4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol

C10H12O3 — CID 105438603

IUPAC4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol
SMILESOCC1CCOc2cc(O)ccc21
InChIInChI=1S/C10H12O3/c11-6-7-3-4-13-10-5-8(12)1-2-9(7)10/h1-2,5,7,11-12H,3-4,6H2
InChIKeyUPEGERYFQUZVQD-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.25
Rot. Bonds1

About 4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol

4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 105438603) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID105438603
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol
SMILESOCC1CCOc2cc(O)ccc21
InChIInChI=1S/C10H12O3/c11-6-7-3-4-13-10-5-8(12)1-2-9(7)10/h1-2,5,7,11-12H,3-4,6H2
InChIKeyUPEGERYFQUZVQD-UHFFFAOYSA-N
XLogP1.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol 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

(4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride
CID 171252096
3-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol
CID 89014966
4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one
CID 91586862
4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
CID 105460519
[6-chloro-7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]methanol
CID 126710140
4-amino-9-hydroxy-2,3,4,6-tetrahydro-1,6-benzoxazocin-5-one
CID 117246887
benzene-1,3-diol;methyl 2-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 158789867
N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide
CID 22218129
3-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123
[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 118597841
2-(7-methyl-3,4-dihydro-2H-chromen-4-yl)acetaldehyde
CID 87790896
[4-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 12859168

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol (CID 105438603) is 4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol is OCC1CCOc2cc(O)ccc21.
What is the InChIKey of 4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is UPEGERYFQUZVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-6-7-3-4-13-10-5-8(12)1-2-9(7)10/h1-2,5,7,11-12H,3-4,6H2.
What are the key properties of 4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol?
4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 180.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 105438603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).