1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene

C15H20O2 — CID 91404007

IUPAC1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene
SMILESC=CC=C[C@H](C)COCc1ccc(OC)cc1
InChIInChI=1S/C15H20O2/c1-4-5-6-13(2)11-17-12-14-7-9-15(16-3)10-8-14/h4-10,13H,1,11-12H2,2-3H3/t13-/m0/s1
InChIKeyIGHQXZDOGYJBFJ-ZDUSSCGKSA-N
MW232.32 g/mol
LogP3.59
Rot. Bonds7

About 1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene

1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene (PubChem CID 91404007) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene
PubChem CID91404007
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene
SMILESC=CC=C[C@H](C)COCc1ccc(OC)cc1
InChIInChI=1S/C15H20O2/c1-4-5-6-13(2)11-17-12-14-7-9-15(16-3)10-8-14/h4-10,13H,1,11-12H2,2-3H3/t13-/m0/s1
InChIKeyIGHQXZDOGYJBFJ-ZDUSSCGKSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal
CID 10657341
1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
CID 71377965
1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene
CID 101467389
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
(2R,3S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylocta-5,7-dienal
CID 91499523
(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
CID 10084181
1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene
CID 78130053
(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391
tris[(1R)-1-chloro-2-[(4-methoxyphenyl)methoxy]ethyl] borate
CID 68977646
(4S,5S)-4-[(Z,2S,5S)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-3-en-2-yl]-5-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 10874918
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene?
The IUPAC name of 1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene (CID 91404007) is 1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene?
The canonical SMILES for 1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene is C=CC=C[C@H](C)COCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene?
The InChIKey is IGHQXZDOGYJBFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-5-6-13(2)11-17-12-14-7-9-15(16-3)10-8-14/h4-10,13H,1,11-12H2,2-3H3/t13-/m0/s1.
What are the key properties of 1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene?
1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene has a molecular weight of 232.32 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene is sourced from PubChem (CID 91404007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).