methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate

C14H18O2 — CID 67100185

IUPACmethyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate
SMILESC/C=C\CCc1cccc(CC(=O)OC)c1
InChIInChI=1S/C14H18O2/c1-3-4-5-7-12-8-6-9-13(10-12)11-14(15)16-2/h3-4,6,8-10H,5,7,11H2,1-2H3/b4-3-
InChIKeySVIQAFPBCQDVIU-ARJAWSKDSA-N
MW218.30 g/mol
LogP2.91
Rot. Bonds5

About methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate

methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate (PubChem CID 67100185) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate
PubChem CID67100185
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namemethyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate
SMILESC/C=C\CCc1cccc(CC(=O)OC)c1
InChIInChI=1S/C14H18O2/c1-3-4-5-7-12-8-6-9-13(10-12)11-14(15)16-2/h3-4,6,8-10H,5,7,11H2,1-2H3/b4-3-
InChIKeySVIQAFPBCQDVIU-ARJAWSKDSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate?
The IUPAC name of methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate (CID 67100185) is methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate is C/C=C\CCc1cccc(CC(=O)OC)c1.
What is the InChIKey of methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate?
The InChIKey is SVIQAFPBCQDVIU-ARJAWSKDSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-4-5-7-12-8-6-9-13(10-12)11-14(15)16-2/h3-4,6,8-10H,5,7,11H2,1-2H3/b4-3-.
What are the key properties of methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate?
methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate has a molecular weight of 218.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(Z)-pent-3-enyl]phenyl]acetate is sourced from PubChem (CID 67100185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).