4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol

C16H16O3 — CID 5281296

IUPAC4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1C/C=C/c1ccc(O)cc1
InChIInChI=1S/C16H16O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h2-3,5-11,17-18H,4H2,1H3/b3-2+
InChIKeyLOHIEGDVOARVPJ-NSCUHMNNSA-N
MW256.30 g/mol
LogP3.36
Rot. Bonds4

About 4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol

4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol (PubChem CID 5281296) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol
PubChem CID5281296
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1C/C=C/c1ccc(O)cc1
InChIInChI=1S/C16H16O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h2-3,5-11,17-18H,4H2,1H3/b3-2+
InChIKeyLOHIEGDVOARVPJ-NSCUHMNNSA-N
XLogP3.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol?
The IUPAC name of 4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol (CID 5281296) is 4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol.
What is the SMILES notation for 4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol?
The canonical SMILES for 4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol is COc1cc(O)ccc1C/C=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol?
The InChIKey is LOHIEGDVOARVPJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H16O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h2-3,5-11,17-18H,4H2,1H3/b3-2+.
What are the key properties of 4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol?
4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol has a molecular weight of 256.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol is sourced from PubChem (CID 5281296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).