2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol

C19H22O3 — CID 163721087

IUPAC2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol
SMILESC=CCc1ccc(O)c(-c2cc(CCCOC)ccc2O)c1
InChIInChI=1S/C19H22O3/c1-3-5-14-7-9-18(20)16(12-14)17-13-15(6-4-11-22-2)8-10-19(17)21/h3,7-10,12-13,20-21H,1,4-6,11H2,2H3
InChIKeyKRQVZLBYPAQUGM-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.07
Rot. Bonds7

About 2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol

2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol (PubChem CID 163721087) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol.

Molecular Properties

Compound Name2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol
PubChem CID163721087
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol
SMILESC=CCc1ccc(O)c(-c2cc(CCCOC)ccc2O)c1
InChIInChI=1S/C19H22O3/c1-3-5-14-7-9-18(20)16(12-14)17-13-15(6-4-11-22-2)8-10-19(17)21/h3,7-10,12-13,20-21H,1,4-6,11H2,2H3
InChIKeyKRQVZLBYPAQUGM-UHFFFAOYSA-N
XLogP4.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
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

4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587
ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823
2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 157385914
2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol
CID 54509125
2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol
CID 174351688
[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate
CID 174918165
CID 69284850
CID 69284850
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
2,6-dimethoxy-4-[(E)-2-phenylethenyl]phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 118955388
7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1H-indene-2,4-diol
CID 102144038
4-(2-methoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 11857938

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol?
The IUPAC name of 2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol (CID 163721087) is 2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol.
What is the SMILES notation for 2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol?
The canonical SMILES for 2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol is C=CCc1ccc(O)c(-c2cc(CCCOC)ccc2O)c1.
What is the InChIKey of 2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol?
The InChIKey is KRQVZLBYPAQUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-5-14-7-9-18(20)16(12-14)17-13-15(6-4-11-22-2)8-10-19(17)21/h3,7-10,12-13,20-21H,1,4-6,11H2,2H3.
What are the key properties of 2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol?
2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol has a molecular weight of 298.38 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol is sourced from PubChem (CID 163721087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).