(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol

C15H24O4 — CID 103180545

IUPAC(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
SMILESCOCCCOCCOc1ccc(C)cc1[C@@H](C)O
InChIInChI=1S/C15H24O4/c1-12-5-6-15(14(11-12)13(2)16)19-10-9-18-8-4-7-17-3/h5-6,11,13,16H,4,7-10H2,1-3H3/t13-/m1/s1
InChIKeyRHDIICIBKMGRES-CYBMUJFWSA-N
MW268.35 g/mol
LogP2.48
Rot. Bonds9

About (1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol

(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol (PubChem CID 103180545) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
PubChem CID103180545
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
SMILESCOCCCOCCOc1ccc(C)cc1[C@@H](C)O
InChIInChI=1S/C15H24O4/c1-12-5-6-15(14(11-12)13(2)16)19-10-9-18-8-4-7-17-3/h5-6,11,13,16H,4,7-10H2,1-3H3/t13-/m1/s1
InChIKeyRHDIICIBKMGRES-CYBMUJFWSA-N
XLogP2.48
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol
CID 103180530
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]boronic acid
CID 103180882
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070
(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564087
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264
(1S)-1-[5-chloro-2-(3-methoxypropoxy)phenyl]ethanol
CID 78931460
1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol
CID 63928842

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol (CID 103180545) is (1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol is COCCCOCCOc1ccc(C)cc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol?
The InChIKey is RHDIICIBKMGRES-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24O4/c1-12-5-6-15(14(11-12)13(2)16)19-10-9-18-8-4-7-17-3/h5-6,11,13,16H,4,7-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol?
(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol has a molecular weight of 268.35 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol is sourced from PubChem (CID 103180545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).