(1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol

C14H22O4 — CID 104928926

IUPAC(1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol
SMILESCCOC(COc1ccc([C@H](C)O)cc1)OCC
InChIInChI=1S/C14H22O4/c1-4-16-14(17-5-2)10-18-13-8-6-12(7-9-13)11(3)15/h6-9,11,14-15H,4-5,10H2,1-3H3/t11-/m0/s1
InChIKeyTZPXVXVEAZBZCC-NSHDSACASA-N
MW254.33 g/mol
LogP2.52
Rot. Bonds8

About (1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol

(1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol (PubChem CID 104928926) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol
PubChem CID104928926
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol
SMILESCCOC(COc1ccc([C@H](C)O)cc1)OCC
InChIInChI=1S/C14H22O4/c1-4-16-14(17-5-2)10-18-13-8-6-12(7-9-13)11(3)15/h6-9,11,14-15H,4-5,10H2,1-3H3/t11-/m0/s1
InChIKeyTZPXVXVEAZBZCC-NSHDSACASA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-diethoxyethoxy)-4-ethoxybenzene
CID 63629434
1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 78954639
1-(2,2-diethoxyethoxy)-4-ethylbenzene
CID 12661794
(1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol
CID 104928930
1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol
CID 114265284
(1S)-1-[4-(3-ethoxypropoxy)phenyl]ethanol
CID 65175040
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
CID 63364284
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol (CID 104928926) is (1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol is CCOC(COc1ccc([C@H](C)O)cc1)OCC.
What is the InChIKey of (1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol?
The InChIKey is TZPXVXVEAZBZCC-NSHDSACASA-N. The full InChI is InChI=1S/C14H22O4/c1-4-16-14(17-5-2)10-18-13-8-6-12(7-9-13)11(3)15/h6-9,11,14-15H,4-5,10H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol?
(1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol has a molecular weight of 254.33 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 104928926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).