(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol

C15H22O3 — CID 11010385

IUPAC(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
SMILESCOc1ccc(COC[C@H](C)/C=C(\C)CO)cc1
InChIInChI=1S/C15H22O3/c1-12(9-16)8-13(2)10-18-11-14-4-6-15(17-3)7-5-14/h4-8,13,16H,9-11H2,1-3H3/b12-8+/t13-/m1/s1
InChIKeyLXJFWKWUTGAXEG-YQCJOKCJSA-N
MW250.34 g/mol
LogP2.79
Rot. Bonds7

About (E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol

(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol (PubChem CID 11010385) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol.

Molecular Properties

Compound Name(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
PubChem CID11010385
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
SMILESCOc1ccc(COC[C@H](C)/C=C(\C)CO)cc1
InChIInChI=1S/C15H22O3/c1-12(9-16)8-13(2)10-18-11-14-4-6-15(17-3)7-5-14/h4-8,13,16H,9-11H2,1-3H3/b12-8+/t13-/m1/s1
InChIKeyLXJFWKWUTGAXEG-YQCJOKCJSA-N
XLogP2.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
CID 71377965
1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene
CID 91404007
1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene
CID 78130053
(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
CID 71079760
(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal
CID 10657341
(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol
CID 10857567
(E)-3-[(4R,5S)-4-[(2R)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2-methylprop-2-en-1-ol
CID 11382948
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
CID 11219333
(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
CID 10084181
(E)-4-[(4-methoxyphenyl)methoxy]-3-methylbut-2-enal
CID 101450016
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150

Frequently Asked Questions

What is the IUPAC name of (E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol?
The IUPAC name of (E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol (CID 11010385) is (E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol.
What is the SMILES notation for (E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol?
The canonical SMILES for (E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol is COc1ccc(COC[C@H](C)/C=C(\C)CO)cc1.
What is the InChIKey of (E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol?
The InChIKey is LXJFWKWUTGAXEG-YQCJOKCJSA-N. The full InChI is InChI=1S/C15H22O3/c1-12(9-16)8-13(2)10-18-11-14-4-6-15(17-3)7-5-14/h4-8,13,16H,9-11H2,1-3H3/b12-8+/t13-/m1/s1.
What are the key properties of (E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol?
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol is sourced from PubChem (CID 11010385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).