(3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol

C15H24O5 — CID 16736187

IUPAC(3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol
SMILESCOc1ccc(COCC[C@](C)(O)CCO)cc1OC
InChIInChI=1S/C15H24O5/c1-15(17,6-8-16)7-9-20-11-12-4-5-13(18-2)14(10-12)19-3/h4-5,10,16-17H,6-9,11H2,1-3H3/t15-/m1/s1
InChIKeyAJVHTOFYJRLZLC-OAHLLOKOSA-N
MW284.35 g/mol
LogP1.74
Rot. Bonds9

About (3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol

(3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol (PubChem CID 16736187) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is (3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol.

Molecular Properties

Compound Name(3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol
PubChem CID16736187
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol
SMILESCOc1ccc(COCC[C@](C)(O)CCO)cc1OC
InChIInChI=1S/C15H24O5/c1-15(17,6-8-16)7-9-20-11-12-4-5-13(18-2)14(10-12)19-3/h4-5,10,16-17H,6-9,11H2,1-3H3/t15-/m1/s1
InChIKeyAJVHTOFYJRLZLC-OAHLLOKOSA-N
XLogP1.74
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol 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

(3,4-dimethoxyphenyl)methoxymethanol
CID 69007274
3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene
CID 143005011
3-(aminomethyl)-4-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 66091190
1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol
CID 114852238
2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
CID 10727925
2-[2-methoxy-4-(methoxymethyl)phenoxy]ethanol
CID 102411892
4-amino-3-[(3,4-dimethoxyphenyl)methyl]-3-methylhexan-1-ol
CID 66089148
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
2-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 106791383
3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine
CID 114796045
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
2-methoxy-4-(4,4,4-trifluorobutoxymethyl)benzenecarbothioamide
CID 106789207

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol?
The IUPAC name of (3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol (CID 16736187) is (3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol.
What is the SMILES notation for (3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol?
The canonical SMILES for (3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol is COc1ccc(COCC[C@](C)(O)CCO)cc1OC.
What is the InChIKey of (3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol?
The InChIKey is AJVHTOFYJRLZLC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24O5/c1-15(17,6-8-16)7-9-20-11-12-4-5-13(18-2)14(10-12)19-3/h4-5,10,16-17H,6-9,11H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol?
(3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol has a molecular weight of 284.35 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(3,4-dimethoxyphenyl)methoxy]-3-methylpentane-1,3-diol is sourced from PubChem (CID 16736187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).