6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one

C10H14O5 — CID 170988717

IUPAC6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one
SMILESCOc1cc([C@H](O)CCCO)oc(=O)c1
InChIInChI=1S/C10H14O5/c1-14-7-5-9(15-10(13)6-7)8(12)3-2-4-11/h5-6,8,11-12H,2-4H2,1H3/t8-/m1/s1
InChIKeyHRMIKELLYOJOBL-MRVPVSSYSA-N
MW214.22 g/mol
LogP0.45
Rot. Bonds5

About 6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one

6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one (PubChem CID 170988717) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one
PubChem CID170988717
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one
SMILESCOc1cc([C@H](O)CCCO)oc(=O)c1
InChIInChI=1S/C10H14O5/c1-14-7-5-9(15-10(13)6-7)8(12)3-2-4-11/h5-6,8,11-12H,2-4H2,1H3/t8-/m1/s1
InChIKeyHRMIKELLYOJOBL-MRVPVSSYSA-N
XLogP0.45
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one 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

6-(1,2-dihydroxyheptyl)-4-methoxypyran-2-one
CID 163065174
4-methoxy-6-propan-2-ylpyran-2-one
CID 147687142
3-(4-methoxy-6-oxopyran-2-yl)butanoic acid
CID 75368777
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]formamide
CID 138990076
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butan-1-ol
CID 171201068
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol
CID 116861375
1-(5-methylfuran-2-yl)butane-1,4-diol
CID 116861366
4-(6-hydroxyhexylsulfanyl)-7-methoxychromen-2-one
CID 164525432
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
4-methoxy-6-(triethylsilylmethyl)pyran-2-one
CID 101008332

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one?
The IUPAC name of 6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one (CID 170988717) is 6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one.
What is the SMILES notation for 6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one?
The canonical SMILES for 6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one is COc1cc([C@H](O)CCCO)oc(=O)c1.
What is the InChIKey of 6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one?
The InChIKey is HRMIKELLYOJOBL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14O5/c1-14-7-5-9(15-10(13)6-7)8(12)3-2-4-11/h5-6,8,11-12H,2-4H2,1H3/t8-/m1/s1.
What are the key properties of 6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one?
6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one has a molecular weight of 214.22 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1,4-dihydroxybutyl]-4-methoxypyran-2-one is sourced from PubChem (CID 170988717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).