Methyl 3-{4-[(6-hydroxyhexyl)oxy]phenyl}prop-2-enoate

HCID 67322893

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Basic information

CAS: 878283-77-3
Standard SMILES: COC(=O)C=Cc1ccc(OCCCCCCO)cc1
InChIKey: BSHNIESKPLQSLB-UHFFFAOYSA-N
Molecular formula: C16H22O4
Average molar mass: 278.34 g/mol
Monoisotopic mass: 278.15180918

Names & identifiers

Preferred name: Methyl 3-{4-[(6-hydroxyhexyl)oxy]phenyl}prop-2-enoate
IUPAC: methyl 3-[4-(6-hydroxyhexoxy)phenyl]prop-2-enoate

Names & synonyms

SCHEMBL2223048DTXSID10736828BSHNIESKPLQSLB-UHFFFAOYSA-NMETHYL 3-{4-[(6-HYDROXYHEXYL)OXY]PHENYL}PROP-2-ENOATE3-[4-(6-hydroxy-hexyloxy)-phenyl]-acrylic acid methyl ester

Database identifiers

CAS: 878283-77-3
PubChem CID: 67322893
DTXSID: DTXSID10736828

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 20
Formal charge: 0
Complexity: 280

Related reactions

6 records

New reaction record

HRID 896722As productuspto-grants-2005_07

HRID 896723As reactantuspto-grants-2005_07

HRID 1810713As productuspto-grants-2013_01

HRID 1810715As reactantuspto-grants-2013_01

HRID 1867775As productuspto-grants-2009_12

HRID 1867776As reactantuspto-grants-2009_12

Compound notes

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