6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate

C16H22O3 — CID 154679401

IUPAC6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCc1ccc(CO)cc1
InChIInChI=1S/C16H22O3/c1-2-16(18)19-12-6-4-3-5-7-14-8-10-15(13-17)11-9-14/h2,8-11,17H,1,3-7,12-13H2
InChIKeyYLFBOIIGGWBGDX-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.01
Rot. Bonds9

About 6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate

6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate (PubChem CID 154679401) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
PubChem CID154679401
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCc1ccc(CO)cc1
InChIInChI=1S/C16H22O3/c1-2-16(18)19-12-6-4-3-5-7-14-8-10-15(13-17)11-9-14/h2,8-11,17H,1,3-7,12-13H2
InChIKeyYLFBOIIGGWBGDX-UHFFFAOYSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-pyridin-4-ylpentyl prop-2-enoate
CID 122214790
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate
CID 142376976
6-[3-(6-hydroxyhexyl)phenyl]hexyl prop-2-enoate
CID 89073143
3-(4-ethenylphenyl)propyl prop-2-enoate
CID 163299713
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
6-[4-[diamino-[3-[diamino-[4-(6-prop-2-enoyloxyhexyl)phenyl]methoxy]phenoxy]methyl]phenyl]hexyl prop-2-enoate
CID 158591215
5-[4-[[2,6-difluoro-4-(5-prop-2-enoyloxypentyl)phenyl]-difluoromethoxy]phenyl]pentyl prop-2-enoate
CID 89283497
10-hydroxydecyl prop-2-enoate
CID 14715958
11-hydroxyundecyl prop-2-enoate
CID 54223498

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate?
The IUPAC name of 6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate (CID 154679401) is 6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate.
What is the SMILES notation for 6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate?
The canonical SMILES for 6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate is C=CC(=O)OCCCCCCc1ccc(CO)cc1.
What is the InChIKey of 6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate?
The InChIKey is YLFBOIIGGWBGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-2-16(18)19-12-6-4-3-5-7-14-8-10-15(13-17)11-9-14/h2,8-11,17H,1,3-7,12-13H2.
What are the key properties of 6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate?
6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate has a molecular weight of 262.35 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate is sourced from PubChem (CID 154679401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).