[2-(3,3-diethoxypropoxy)phenyl]methanol

C14H22O4 — CID 63654292

IUPAC[2-(3,3-diethoxypropoxy)phenyl]methanol
SMILESCCOC(CCOc1ccccc1CO)OCC
InChIInChI=1S/C14H22O4/c1-3-16-14(17-4-2)9-10-18-13-8-6-5-7-12(13)11-15/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyNQPAJFMRLUVLRI-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.35
Rot. Bonds9

About [2-(3,3-diethoxypropoxy)phenyl]methanol

[2-(3,3-diethoxypropoxy)phenyl]methanol (PubChem CID 63654292) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is [2-(3,3-diethoxypropoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(3,3-diethoxypropoxy)phenyl]methanol
PubChem CID63654292
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name[2-(3,3-diethoxypropoxy)phenyl]methanol
SMILESCCOC(CCOc1ccccc1CO)OCC
InChIInChI=1S/C14H22O4/c1-3-16-14(17-4-2)9-10-18-13-8-6-5-7-12(13)11-15/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyNQPAJFMRLUVLRI-UHFFFAOYSA-N
XLogP2.35
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.35
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

[2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 28945937
ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate
CID 55246185
[2-(4,4-diethoxybut-2-ynoxy)phenyl]methanol
CID 11737148
(2-octoxyphenyl)methanol
CID 43128604
2-[2-(2,2-diethoxyethoxy)phenyl]ethanol
CID 58168566
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide
CID 63652935
[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanol
CID 60773075
2-(3,3-diethoxypropoxy)-6-fluorobenzonitrile
CID 63629983
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-diethoxypropoxy)phenyl]methanol?
The IUPAC name of [2-(3,3-diethoxypropoxy)phenyl]methanol (CID 63654292) is [2-(3,3-diethoxypropoxy)phenyl]methanol.
What is the SMILES notation for [2-(3,3-diethoxypropoxy)phenyl]methanol?
The canonical SMILES for [2-(3,3-diethoxypropoxy)phenyl]methanol is CCOC(CCOc1ccccc1CO)OCC.
What is the InChIKey of [2-(3,3-diethoxypropoxy)phenyl]methanol?
The InChIKey is NQPAJFMRLUVLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-16-14(17-4-2)9-10-18-13-8-6-5-7-12(13)11-15/h5-8,14-15H,3-4,9-11H2,1-2H3.
What are the key properties of [2-(3,3-diethoxypropoxy)phenyl]methanol?
[2-(3,3-diethoxypropoxy)phenyl]methanol has a molecular weight of 254.33 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-diethoxypropoxy)phenyl]methanol is sourced from PubChem (CID 63654292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).