2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene

C23H30O4 — CID 2898461

IUPAC2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
SMILESCC=Cc1ccc(OCCCCOc2ccccc2OC(C)C)c(OC)c1
InChIInChI=1S/C23H30O4/c1-5-10-19-13-14-21(23(17-19)24-4)26-16-9-8-15-25-20-11-6-7-12-22(20)27-18(2)3/h5-7,10-14,17-18H,8-9,15-16H2,1-4H3
InChIKeyMIPXCYYJCRZWME-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.75
Rot. Bonds11

About 2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene

2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene (PubChem CID 2898461) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene.

Molecular Properties

Compound Name2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
PubChem CID2898461
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
SMILESCC=Cc1ccc(OCCCCOc2ccccc2OC(C)C)c(OC)c1
InChIInChI=1S/C23H30O4/c1-5-10-19-13-14-21(23(17-19)24-4)26-16-9-8-15-25-20-11-6-7-12-22(20)27-18(2)3/h5-7,10-14,17-18H,8-9,15-16H2,1-4H3
InChIKeyMIPXCYYJCRZWME-UHFFFAOYSA-N
XLogP5.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2292081
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
[(2S)-butan-2-yl]-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
CID 2184410
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]butan-2-amine
CID 20833711
N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine
CID 2934924
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
CID 76946846
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 888309
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine
CID 76946866
2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene
CID 102312295
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
1-(8-iodooctoxy)-4-[(E)-2-[4-(8-iodooctoxy)-3-methoxyphenyl]ethenyl]-2-methoxybenzene
CID 176915558
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
CID 20833717

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene?
The IUPAC name of 2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene (CID 2898461) is 2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene.
What is the SMILES notation for 2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene?
The canonical SMILES for 2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene is CC=Cc1ccc(OCCCCOc2ccccc2OC(C)C)c(OC)c1.
What is the InChIKey of 2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene?
The InChIKey is MIPXCYYJCRZWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-5-10-19-13-14-21(23(17-19)24-4)26-16-9-8-15-25-20-11-6-7-12-22(20)27-18(2)3/h5-7,10-14,17-18H,8-9,15-16H2,1-4H3.
What are the key properties of 2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene?
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene has a molecular weight of 370.49 g/mol, XLogP of 5.75, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene is sourced from PubChem (CID 2898461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).