1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene

C23H30O4 — CID 102097500

IUPAC1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene
SMILESC=C[C@@H](Oc1ccc(OC)cc1)[C@@H](CCCCC)Oc1ccc(OC)cc1
InChIInChI=1S/C23H30O4/c1-5-7-8-9-23(27-21-16-12-19(25-4)13-17-21)22(6-2)26-20-14-10-18(24-3)11-15-20/h6,10-17,22-23H,2,5,7-9H2,1,3-4H3/t22-,23-/m1/s1
InChIKeyVNHPRVBSCPCAOZ-DHIUTWEWSA-N
MW370.49 g/mol
LogP5.67
Rot. Bonds12

About 1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene

1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene (PubChem CID 102097500) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene
PubChem CID102097500
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene
SMILESC=C[C@@H](Oc1ccc(OC)cc1)[C@@H](CCCCC)Oc1ccc(OC)cc1
InChIInChI=1S/C23H30O4/c1-5-7-8-9-23(27-21-16-12-19(25-4)13-17-21)22(6-2)26-20-14-10-18(24-3)11-15-20/h6,10-17,22-23H,2,5,7-9H2,1,3-4H3/t22-,23-/m1/s1
InChIKeyVNHPRVBSCPCAOZ-DHIUTWEWSA-N
XLogP5.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene
CID 11321707
1-[(1S,2R)-2-ethenyl-1-methoxyundecyl]-4-methoxybenzene
CID 122225849
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-(4-methoxyphenyl)heptylhydrazine
CID 105190916
1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one
CID 102429180
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene?
The IUPAC name of 1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene (CID 102097500) is 1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene.
What is the SMILES notation for 1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene?
The canonical SMILES for 1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene is C=C[C@@H](Oc1ccc(OC)cc1)[C@@H](CCCCC)Oc1ccc(OC)cc1.
What is the InChIKey of 1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene?
The InChIKey is VNHPRVBSCPCAOZ-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H30O4/c1-5-7-8-9-23(27-21-16-12-19(25-4)13-17-21)22(6-2)26-20-14-10-18(24-3)11-15-20/h6,10-17,22-23H,2,5,7-9H2,1,3-4H3/t22-,23-/m1/s1.
What are the key properties of 1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene?
1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene has a molecular weight of 370.49 g/mol, XLogP of 5.67, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene is sourced from PubChem (CID 102097500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).