5-methoxy-2-(1-phenylbut-3-enyl)phenol

C17H18O2 — CID 53381202

IUPAC5-methoxy-2-(1-phenylbut-3-enyl)phenol
SMILESC=CCC(c1ccccc1)c1ccc(OC)cc1O
InChIInChI=1S/C17H18O2/c1-3-7-15(13-8-5-4-6-9-13)16-11-10-14(19-2)12-17(16)18/h3-6,8-12,15,18H,1,7H2,2H3
InChIKeyWBNRRDYQQSHCJB-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.11
Rot. Bonds5

About 5-methoxy-2-(1-phenylbut-3-enyl)phenol

5-methoxy-2-(1-phenylbut-3-enyl)phenol (PubChem CID 53381202) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-methoxy-2-(1-phenylbut-3-enyl)phenol.

Molecular Properties

Compound Name5-methoxy-2-(1-phenylbut-3-enyl)phenol
PubChem CID53381202
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name5-methoxy-2-(1-phenylbut-3-enyl)phenol
SMILESC=CCC(c1ccccc1)c1ccc(OC)cc1O
InChIInChI=1S/C17H18O2/c1-3-7-15(13-8-5-4-6-9-13)16-11-10-14(19-2)12-17(16)18/h3-6,8-12,15,18H,1,7H2,2H3
InChIKeyWBNRRDYQQSHCJB-UHFFFAOYSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[phenyl-(prop-2-enylamino)methyl]phenol
CID 43189582
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol
CID 132917189
5-methoxy-2-[phenyl(propylamino)methyl]phenol
CID 24705349
2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol
CID 132573747
1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
2-[(3-aminopropylamino)-phenylmethyl]-5-methoxyphenol
CID 60889877
5-methoxy-2-[(pentylamino)-phenylmethyl]phenol
CID 43824880
(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
CID 124706268
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(1-phenylbut-3-enyl)phenol?
The IUPAC name of 5-methoxy-2-(1-phenylbut-3-enyl)phenol (CID 53381202) is 5-methoxy-2-(1-phenylbut-3-enyl)phenol.
What is the SMILES notation for 5-methoxy-2-(1-phenylbut-3-enyl)phenol?
The canonical SMILES for 5-methoxy-2-(1-phenylbut-3-enyl)phenol is C=CCC(c1ccccc1)c1ccc(OC)cc1O.
What is the InChIKey of 5-methoxy-2-(1-phenylbut-3-enyl)phenol?
The InChIKey is WBNRRDYQQSHCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-7-15(13-8-5-4-6-9-13)16-11-10-14(19-2)12-17(16)18/h3-6,8-12,15,18H,1,7H2,2H3.
What are the key properties of 5-methoxy-2-(1-phenylbut-3-enyl)phenol?
5-methoxy-2-(1-phenylbut-3-enyl)phenol has a molecular weight of 254.33 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(1-phenylbut-3-enyl)phenol is sourced from PubChem (CID 53381202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).