1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene

C14H20O2 — CID 71377965

IUPAC1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
SMILESCC=C[C@@H](C)COCc1ccc(OC)cc1
InChIInChI=1S/C14H20O2/c1-4-5-12(2)10-16-11-13-6-8-14(15-3)9-7-13/h4-9,12H,10-11H2,1-3H3/t12-/m1/s1
InChIKeyBTVXHQJXNGHCCE-GFCCVEGCSA-N
MW220.31 g/mol
LogP3.42
Rot. Bonds6

About 1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene

1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene (PubChem CID 71377965) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
PubChem CID71377965
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
SMILESCC=C[C@@H](C)COCc1ccc(OC)cc1
InChIInChI=1S/C14H20O2/c1-4-5-12(2)10-16-11-13-6-8-14(15-3)9-7-13/h4-9,12H,10-11H2,1-3H3/t12-/m1/s1
InChIKeyBTVXHQJXNGHCCE-GFCCVEGCSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene
CID 91404007
(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal
CID 10657341
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
CID 10084181
(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
1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene
CID 101467389
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
(2R)-N-(4-methoxyphenyl)-2-methyl-3-phenylmethoxypropan-1-imine
CID 14039643
(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 10491992
(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol
CID 141348712

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene?
The IUPAC name of 1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene (CID 71377965) is 1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene?
The canonical SMILES for 1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene is CC=C[C@@H](C)COCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene?
The InChIKey is BTVXHQJXNGHCCE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-5-12(2)10-16-11-13-6-8-14(15-3)9-7-13/h4-9,12H,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene?
1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene has a molecular weight of 220.31 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene is sourced from PubChem (CID 71377965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).