1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol

C15H24O4 — CID 112588838

IUPAC1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
SMILESCOc1cccc(C(O)COCCOC(C)(C)C)c1
InChIInChI=1S/C15H24O4/c1-15(2,3)19-9-8-18-11-14(16)12-6-5-7-13(10-12)17-4/h5-7,10,14,16H,8-9,11H2,1-4H3
InChIKeyNNDWHDMCQJZXGP-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.56
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol

1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol (PubChem CID 112588838) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
PubChem CID112588838
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
SMILESCOc1cccc(C(O)COCCOC(C)(C)C)c1
InChIInChI=1S/C15H24O4/c1-15(2,3)19-9-8-18-11-14(16)12-6-5-7-13(10-12)17-4/h5-7,10,14,16H,8-9,11H2,1-4H3
InChIKeyNNDWHDMCQJZXGP-UHFFFAOYSA-N
XLogP2.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.56
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

2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol
CID 10263644
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
CID 135065936
1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
CID 110907759
1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 141365306
1-(3-cyclopropyloxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105131484
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol
CID 106940305
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol (CID 112588838) is 1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol is COc1cccc(C(O)COCCOC(C)(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol?
The InChIKey is NNDWHDMCQJZXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-15(2,3)19-9-8-18-11-14(16)12-6-5-7-13(10-12)17-4/h5-7,10,14,16H,8-9,11H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol?
1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol has a molecular weight of 268.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol is sourced from PubChem (CID 112588838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).