(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol

C14H22O4 — CID 78962768

IUPAC(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
SMILESCOCCOCCOc1cc(C)ccc1[C@H](C)O
InChIInChI=1S/C14H22O4/c1-11-4-5-13(12(2)15)14(10-11)18-9-8-17-7-6-16-3/h4-5,10,12,15H,6-9H2,1-3H3/t12-/m0/s1
InChIKeyYPQHUYWJXHOZOZ-LBPRGKRZSA-N
MW254.33 g/mol
LogP2.09
Rot. Bonds8

About (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol

(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol (PubChem CID 78962768) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
PubChem CID78962768
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
SMILESCOCCOCCOc1cc(C)ccc1[C@H](C)O
InChIInChI=1S/C14H22O4/c1-11-4-5-13(12(2)15)14(10-11)18-9-8-17-7-6-16-3/h4-5,10,12,15H,6-9H2,1-3H3/t12-/m0/s1
InChIKeyYPQHUYWJXHOZOZ-LBPRGKRZSA-N
XLogP2.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.09
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

(1S)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 78947557
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol
CID 102948286
(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
CID 103180545
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410280
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128
1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine
CID 63640120
1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472830
4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol
CID 79356014
2-[2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]ethoxy]ethanol
CID 63650862

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol (CID 78962768) is (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol is COCCOCCOc1cc(C)ccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol?
The InChIKey is YPQHUYWJXHOZOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22O4/c1-11-4-5-13(12(2)15)14(10-11)18-9-8-17-7-6-16-3/h4-5,10,12,15H,6-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol?
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol has a molecular weight of 254.33 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol is sourced from PubChem (CID 78962768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).