4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol

C13H18O4 — CID 54330886

IUPAC4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol
SMILESCOCOc1ccc(C=CCCO)cc1OC
InChIInChI=1S/C13H18O4/c1-15-10-17-12-7-6-11(5-3-4-8-14)9-13(12)16-2/h3,5-7,9,14H,4,8,10H2,1-2H3
InChIKeySYGKWYMHQHIIJJ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.07
Rot. Bonds7

About 4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol

4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol (PubChem CID 54330886) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol
PubChem CID54330886
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol
SMILESCOCOc1ccc(C=CCCO)cc1OC
InChIInChI=1S/C13H18O4/c1-15-10-17-12-7-6-11(5-3-4-8-14)9-13(12)16-2/h3,5-7,9,14H,4,8,10H2,1-2H3
InChIKeySYGKWYMHQHIIJJ-UHFFFAOYSA-N
XLogP2.07
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 11730255
4-ethenyl-2-methoxy-1-(methoxymethoxy)benzene
CID 59623316
4-(4-hydroxybut-1-enyl)-2-methoxybenzonitrile
CID 170477013
1,2-bis(methoxymethoxy)-4-[(E)-prop-1-enyl]benzene
CID 58923294
1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
CID 12892889
4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine
CID 76996860
(E)-4-[3-methoxy-4-(methoxymethoxy)phenyl]-1-thiophen-2-ylbut-3-en-1-one
CID 122223436
(E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol
CID 98016041
methyl 4-[4-[3,4-bis(methoxymethoxy)phenyl]buta-1,3-dienyl]benzoate
CID 91216222
S-[4-(3,4-dimethoxyphenyl)but-3-enyl] ethanethioate
CID 170480387
(E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol
CID 22164993
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol?
The IUPAC name of 4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol (CID 54330886) is 4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol.
What is the SMILES notation for 4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol?
The canonical SMILES for 4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol is COCOc1ccc(C=CCCO)cc1OC.
What is the InChIKey of 4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol?
The InChIKey is SYGKWYMHQHIIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-10-17-12-7-6-11(5-3-4-8-14)9-13(12)16-2/h3,5-7,9,14H,4,8,10H2,1-2H3.
What are the key properties of 4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol?
4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol has a molecular weight of 238.28 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol is sourced from PubChem (CID 54330886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).