methyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate

C14H18O3 — CID 146431842

IUPACmethyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate
SMILESC/C=C(\CCO)c1ccccc1CC(=O)OC
InChIInChI=1S/C14H18O3/c1-3-11(8-9-15)13-7-5-4-6-12(13)10-14(16)17-2/h3-7,15H,8-10H2,1-2H3/b11-3+
InChIKeyGXYDSAGVTVWJMD-QDEBKDIKSA-N
MW234.29 g/mol
LogP2.19
Rot. Bonds5

About methyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate

methyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate (PubChem CID 146431842) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is methyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate
PubChem CID146431842
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namemethyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate
SMILESC/C=C(\CCO)c1ccccc1CC(=O)OC
InChIInChI=1S/C14H18O3/c1-3-11(8-9-15)13-7-5-4-6-12(13)10-14(16)17-2/h3-7,15H,8-10H2,1-2H3/b11-3+
InChIKeyGXYDSAGVTVWJMD-QDEBKDIKSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate (CID 146431842) is methyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate is C/C=C(\CCO)c1ccccc1CC(=O)OC.
What is the InChIKey of methyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate?
The InChIKey is GXYDSAGVTVWJMD-QDEBKDIKSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-11(8-9-15)13-7-5-4-6-12(13)10-14(16)17-2/h3-7,15H,8-10H2,1-2H3/b11-3+.
What are the key properties of methyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate?
methyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate has a molecular weight of 234.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(E)-5-hydroxypent-2-en-3-yl]phenyl]acetate is sourced from PubChem (CID 146431842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).