(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol

C15H24O3 — CID 83158123

IUPAC(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCCCC(C)C)c1
InChIInChI=1S/C15H24O3/c1-11(2)6-5-9-18-15-10-13(17-4)7-8-14(15)12(3)16/h7-8,10-12,16H,5-6,9H2,1-4H3/t12-/m1/s1
InChIKeyRWFDJPXQGKABRD-GFCCVEGCSA-N
MW252.35 g/mol
LogP3.56
Rot. Bonds7

About (1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol

(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol (PubChem CID 83158123) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
PubChem CID83158123
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCCCC(C)C)c1
InChIInChI=1S/C15H24O3/c1-11(2)6-5-9-18-15-10-13(17-4)7-8-14(15)12(3)16/h7-8,10-12,16H,5-6,9H2,1-4H3/t12-/m1/s1
InChIKeyRWFDJPXQGKABRD-GFCCVEGCSA-N
XLogP3.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
CID 82001346
methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
CID 82001396
(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034207
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 82000959
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol (CID 83158123) is (1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol is COc1ccc([C@@H](C)O)c(OCCCC(C)C)c1.
What is the InChIKey of (1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol?
The InChIKey is RWFDJPXQGKABRD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)6-5-9-18-15-10-13(17-4)7-8-14(15)12(3)16/h7-8,10-12,16H,5-6,9H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol?
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol has a molecular weight of 252.35 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol is sourced from PubChem (CID 83158123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).