4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol

C20H24O4 — CID 85296375

IUPAC4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol
SMILESCOCC(CC=Cc1ccc(O)cc1)C(OC)c1ccc(O)cc1
InChIInChI=1S/C20H24O4/c1-23-14-17(5-3-4-15-6-10-18(21)11-7-15)20(24-2)16-8-12-19(22)13-9-16/h3-4,6-13,17,20-22H,5,14H2,1-2H3
InChIKeyPYPQUQKGAGXEHZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.15
Rot. Bonds8

About 4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol

4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol (PubChem CID 85296375) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol
PubChem CID85296375
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol
SMILESCOCC(CC=Cc1ccc(O)cc1)C(OC)c1ccc(O)cc1
InChIInChI=1S/C20H24O4/c1-23-14-17(5-3-4-15-6-10-18(21)11-7-15)20(24-2)16-8-12-19(22)13-9-16/h3-4,6-13,17,20-22H,5,14H2,1-2H3
InChIKeyPYPQUQKGAGXEHZ-UHFFFAOYSA-N
XLogP4.15
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol
CID 11089156
(E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol
CID 102287543
4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260
4-[(E,4R,5R)-6-tert-butyl-5-hydroxy-4,7,7-trimethyloct-1-enyl]phenol
CID 59810678
4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol
CID 57222494
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
4-(3-hydroperoxyprop-1-enyl)phenol
CID 54378687
4-[(E)-pent-1-enyl]phenol
CID 15576502
5-[(E)-2-[4-[1-(3,5-dihydroxyphenyl)-2-ethoxy-2-(4-hydroxyphenyl)ethoxy]phenyl]ethenyl]benzene-1,3-diol
CID 53465818
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
(1R,2S)-1-(3,4-dimethoxyphenyl)-2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 10904434
1-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 73118158

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol?
The IUPAC name of 4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol (CID 85296375) is 4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol.
What is the SMILES notation for 4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol?
The canonical SMILES for 4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol is COCC(CC=Cc1ccc(O)cc1)C(OC)c1ccc(O)cc1.
What is the InChIKey of 4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol?
The InChIKey is PYPQUQKGAGXEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-23-14-17(5-3-4-15-6-10-18(21)11-7-15)20(24-2)16-8-12-19(22)13-9-16/h3-4,6-13,17,20-22H,5,14H2,1-2H3.
What are the key properties of 4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol?
4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol has a molecular weight of 328.41 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol is sourced from PubChem (CID 85296375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).