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

C10H12O3 — CID 104950006

IUPAC(4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOCC1C[C@H](O)c2ccccc2O1
InChIInChI=1S/C10H12O3/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-4,7,9,11-12H,5-6H2/t7?,9-/m0/s1
InChIKeyIEQIKWXHMYQYJL-NETXQHHPSA-N
MW180.20 g/mol
LogP0.86
Rot. Bonds1

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

(4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104950006) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104950006
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOCC1C[C@H](O)c2ccccc2O1
InChIInChI=1S/C10H12O3/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-4,7,9,11-12H,5-6H2/t7?,9-/m0/s1
InChIKeyIEQIKWXHMYQYJL-NETXQHHPSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3,4-dihydro-2H-chromen-4-ol
CID 22645938
(4S)-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949968
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 130124286
(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 134948340
(4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol
CID 104949803
2-piperidin-4-yl-3,4-dihydro-2H-chromen-4-ol
CID 126844229
(4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950152
(4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949776
2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714846
(4R)-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950234
(2R,4R)-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 92935775

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol (CID 104950006) is (4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol is OCC1C[C@H](O)c2ccccc2O1.
What is the InChIKey of (4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is IEQIKWXHMYQYJL-NETXQHHPSA-N. The full InChI is InChI=1S/C10H12O3/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-4,7,9,11-12H,5-6H2/t7?,9-/m0/s1.
What are the key properties of (4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 180.20 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104950006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).