5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol

C18H18O3 — CID 163109086

IUPAC5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol
SMILESC=CC(C=Cc1ccc(OC)c(O)c1)c1ccc(O)cc1
InChIInChI=1S/C18H18O3/c1-3-14(15-7-9-16(19)10-8-15)6-4-13-5-11-18(21-2)17(20)12-13/h3-12,14,19-20H,1H2,2H3
InChIKeyGQCXCYCLJQYPDM-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.09
Rot. Bonds5

About 5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol

5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol (PubChem CID 163109086) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol
PubChem CID163109086
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol
SMILESC=CC(C=Cc1ccc(OC)c(O)c1)c1ccc(O)cc1
InChIInChI=1S/C18H18O3/c1-3-14(15-7-9-16(19)10-8-15)6-4-13-5-11-18(21-2)17(20)12-13/h3-12,14,19-20H,1H2,2H3
InChIKeyGQCXCYCLJQYPDM-UHFFFAOYSA-N
XLogP4.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3R)-1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]-2-methoxyphenol
CID 162899883
4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol
CID 90924622
1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene
CID 162984597
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
(E)-N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 11209675
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
2-methoxy-5-(2-pyridin-4-ylethenyl)phenol
CID 54474523
2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]phenol
CID 11231216
1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene
CID 147064601
5-but-1-enyl-2-methoxyphenol
CID 154188368
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
5-(3-chloroprop-1-enyl)-2-methoxyphenol
CID 169477190

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol?
The IUPAC name of 5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol (CID 163109086) is 5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol.
What is the SMILES notation for 5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol?
The canonical SMILES for 5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol is C=CC(C=Cc1ccc(OC)c(O)c1)c1ccc(O)cc1.
What is the InChIKey of 5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol?
The InChIKey is GQCXCYCLJQYPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-14(15-7-9-16(19)10-8-15)6-4-13-5-11-18(21-2)17(20)12-13/h3-12,14,19-20H,1H2,2H3.
What are the key properties of 5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol?
5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol has a molecular weight of 282.34 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol is sourced from PubChem (CID 163109086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).