6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate

C15H20O4 — CID 175435044

IUPAC6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)CCCOc1ccc(O)cc1
InChIInChI=1S/C15H20O4/c1-3-13(19-15(17)4-2)6-5-11-18-14-9-7-12(16)8-10-14/h4,7-10,13,16H,2-3,5-6,11H2,1H3
InChIKeyIDFMFFMHXUROJR-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.06
Rot. Bonds8

About 6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate

6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate (PubChem CID 175435044) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate.

Molecular Properties

Compound Name6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate
PubChem CID175435044
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)CCCOc1ccc(O)cc1
InChIInChI=1S/C15H20O4/c1-3-13(19-15(17)4-2)6-5-11-18-14-9-7-12(16)8-10-14/h4,7-10,13,16H,2-3,5-6,11H2,1H3
InChIKeyIDFMFFMHXUROJR-UHFFFAOYSA-N
XLogP3.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[4-[4-(4-prop-2-enoyloxyhexoxy)phenyl]phenoxy]hexan-3-yl prop-2-enoate
CID 90003140
1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate
CID 58280736
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
4-prop-2-enoyloxyhexyl benzoate
CID 175019274
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
CID 144554090
5-(4-methylphenoxy)pentan-2-yl prop-2-enoate
CID 23527604
dodecan-3-yl prop-2-enoate
CID 543279
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074
7-hydroxyoctan-3-yl prop-2-enoate
CID 88696843
ethanol;octan-3-yl prop-2-enoate
CID 158914224
[4-[4-(4-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 2-(1-hydroxyundecan-2-yloxy)benzoate
CID 67066856

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate?
The IUPAC name of 6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate (CID 175435044) is 6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate.
What is the SMILES notation for 6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate?
The canonical SMILES for 6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate is C=CC(=O)OC(CC)CCCOc1ccc(O)cc1.
What is the InChIKey of 6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate?
The InChIKey is IDFMFFMHXUROJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-13(19-15(17)4-2)6-5-11-18-14-9-7-12(16)8-10-14/h4,7-10,13,16H,2-3,5-6,11H2,1H3.
What are the key properties of 6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate?
6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate is sourced from PubChem (CID 175435044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).