1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol

C14H22O4 — CID 106453708

IUPAC1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
SMILESCCCOCCOc1ccc(C(C)O)cc1OC
InChIInChI=1S/C14H22O4/c1-4-7-17-8-9-18-13-6-5-12(11(2)15)10-14(13)16-3/h5-6,10-11,15H,4,7-9H2,1-3H3
InChIKeyDKEIBLXLBIFTOS-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.55
Rot. Bonds8

About 1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol

1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol (PubChem CID 106453708) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
PubChem CID106453708
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
SMILESCCCOCCOc1ccc(C(C)O)cc1OC
InChIInChI=1S/C14H22O4/c1-4-7-17-8-9-18-13-6-5-12(11(2)15)10-14(13)16-3/h5-6,10-11,15H,4,7-9H2,1-3H3
InChIKeyDKEIBLXLBIFTOS-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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-butoxy-3-methoxyphenyl)ethanol
CID 63364662
(1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 63364673
1-butoxy-3-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propan-2-ol
CID 107263386
1-(4-methoxy-3-pentoxyphenyl)ethanol
CID 91655145
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butan-1-ol
CID 55188992
(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
CID 79016651
1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209
(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol
CID 82928017
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355074
4-[4-(1-hydroxyethyl)-2-methoxyphenoxy]butanenitrile
CID 43503833
4-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanenitrile
CID 55189697

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol?
The IUPAC name of 1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol (CID 106453708) is 1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol is CCCOCCOc1ccc(C(C)O)cc1OC.
What is the InChIKey of 1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol?
The InChIKey is DKEIBLXLBIFTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-7-17-8-9-18-13-6-5-12(11(2)15)10-14(13)16-3/h5-6,10-11,15H,4,7-9H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol?
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol has a molecular weight of 254.33 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 106453708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).