1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene

C18H20O3 — CID 144875498

IUPAC1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene
SMILESC=CCCCOc1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O3/c1-3-4-5-14-20-16-8-12-18(13-9-16)21-17-10-6-15(19-2)7-11-17/h3,6-13H,1,4-5,14H2,2H3
InChIKeyUJFXNCKZSAOQCX-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.83
Rot. Bonds8

About 1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene

1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene (PubChem CID 144875498) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene.

Molecular Properties

Compound Name1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene
PubChem CID144875498
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene
SMILESC=CCCCOc1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20O3/c1-3-4-5-14-20-16-8-12-18(13-9-16)21-17-10-6-15(19-2)7-11-17/h3,6-13H,1,4-5,14H2,2H3
InChIKeyUJFXNCKZSAOQCX-UHFFFAOYSA-N
XLogP4.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
1-methoxy-3-pent-4-enoxybenzene
CID 10750277
anisole;but-3-enoxybenzene
CID 174761838
(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
CID 71359272
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
[1,4-dihydroxy-4-(4-pent-4-enoxybenzoyl)cyclohexa-2,5-dien-1-yl]-(4-pent-4-enoxyphenyl)methanone
CID 68509388
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
1-ethyl-4-oct-7-enoxybenzene
CID 158431404
(1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine
CID 78967480
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene?
The IUPAC name of 1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene (CID 144875498) is 1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene.
What is the SMILES notation for 1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene?
The canonical SMILES for 1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene is C=CCCCOc1ccc(Oc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene?
The InChIKey is UJFXNCKZSAOQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-4-5-14-20-16-8-12-18(13-9-16)21-17-10-6-15(19-2)7-11-17/h3,6-13H,1,4-5,14H2,2H3.
What are the key properties of 1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene?
1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene has a molecular weight of 284.36 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene is sourced from PubChem (CID 144875498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).