5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol

C13H20O4 — CID 112718404

IUPAC5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol
SMILESCOc1cccc(C(C)CC(O)C(C)O)c1O
InChIInChI=1S/C13H20O4/c1-8(7-11(15)9(2)14)10-5-4-6-12(17-3)13(10)16/h4-6,8-9,11,14-16H,7H2,1-3H3
InChIKeyOJYQWJZYAWESLQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.64
Rot. Bonds5

About 5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol

5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol (PubChem CID 112718404) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol.

Molecular Properties

Compound Name5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol
PubChem CID112718404
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol
SMILESCOc1cccc(C(C)CC(O)C(C)O)c1O
InChIInChI=1S/C13H20O4/c1-8(7-11(15)9(2)14)10-5-4-6-12(17-3)13(10)16/h4-6,8-9,11,14-16H,7H2,1-3H3
InChIKeyOJYQWJZYAWESLQ-UHFFFAOYSA-N
XLogP1.64
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol
CID 83930686
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
3-(2-hydroxy-3-methoxyphenyl)butanal
CID 83830642
3-(2-hydroxy-3-methoxyphenyl)-1-(2,4,5-trimethoxyphenyl)butan-1-one
CID 10737231
2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol
CID 83909620
2-(2-hydroxy-3-methoxyphenyl)propanal
CID 83828156
5-(2,3-dichlorophenyl)hexane-2,3-diol
CID 83924753
3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide
CID 171899043
ethyl 2,3-dihydroxy-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171865973
5-(2-chlorophenyl)hexane-2,3-diol
CID 83924274
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol?
The IUPAC name of 5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol (CID 112718404) is 5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol.
What is the SMILES notation for 5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol?
The canonical SMILES for 5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol is COc1cccc(C(C)CC(O)C(C)O)c1O.
What is the InChIKey of 5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol?
The InChIKey is OJYQWJZYAWESLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-8(7-11(15)9(2)14)10-5-4-6-12(17-3)13(10)16/h4-6,8-9,11,14-16H,7H2,1-3H3.
What are the key properties of 5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol?
5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol has a molecular weight of 240.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol is sourced from PubChem (CID 112718404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).