2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol

C12H16O4 — CID 101382375

IUPAC2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
SMILESCCOc1cc(/C=C/CO)cc(OC)c1O
InChIInChI=1S/C12H16O4/c1-3-16-11-8-9(5-4-6-13)7-10(15-2)12(11)14/h4-5,7-8,13-14H,3,6H2,1-2H3/b5-4+
InChIKeyCQOVIQKBFCRMBV-SNAWJCMRSA-N
MW224.26 g/mol
LogP1.80
Rot. Bonds5

About 2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol

2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol (PubChem CID 101382375) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
PubChem CID101382375
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
SMILESCCOc1cc(/C=C/CO)cc(OC)c1O
InChIInChI=1S/C12H16O4/c1-3-16-11-8-9(5-4-6-13)7-10(15-2)12(11)14/h4-5,7-8,13-14H,3,6H2,1-2H3/b5-4+
InChIKeyCQOVIQKBFCRMBV-SNAWJCMRSA-N
XLogP1.80
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol
CID 79334314
4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol
CID 13436193
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
2-ethoxy-6-methoxy-4-methylphenol
CID 125485812
5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol
CID 117319602
3-[3,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 85214400
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol
CID 141410707

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol?
The IUPAC name of 2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol (CID 101382375) is 2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol.
What is the SMILES notation for 2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol?
The canonical SMILES for 2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol is CCOc1cc(/C=C/CO)cc(OC)c1O.
What is the InChIKey of 2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol?
The InChIKey is CQOVIQKBFCRMBV-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-16-11-8-9(5-4-6-13)7-10(15-2)12(11)14/h4-5,7-8,13-14H,3,6H2,1-2H3/b5-4+.
What are the key properties of 2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol?
2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol has a molecular weight of 224.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol is sourced from PubChem (CID 101382375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).