(2-hexoxy-6-hydroxyphenyl) propanoate

C15H22O4 — CID 91538458

IUPAC(2-hexoxy-6-hydroxyphenyl) propanoate
SMILESCCCCCCOc1cccc(O)c1OC(=O)CC
InChIInChI=1S/C15H22O4/c1-3-5-6-7-11-18-13-10-8-9-12(16)15(13)19-14(17)4-2/h8-10,16H,3-7,11H2,1-2H3
InChIKeyMOCUKUREKIBNGC-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.67
Rot. Bonds8

About (2-hexoxy-6-hydroxyphenyl) propanoate

(2-hexoxy-6-hydroxyphenyl) propanoate (PubChem CID 91538458) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2-hexoxy-6-hydroxyphenyl) propanoate.

Molecular Properties

Compound Name(2-hexoxy-6-hydroxyphenyl) propanoate
PubChem CID91538458
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(2-hexoxy-6-hydroxyphenyl) propanoate
SMILESCCCCCCOc1cccc(O)c1OC(=O)CC
InChIInChI=1S/C15H22O4/c1-3-5-6-7-11-18-13-10-8-9-12(16)15(13)19-14(17)4-2/h8-10,16H,3-7,11H2,1-2H3
InChIKeyMOCUKUREKIBNGC-UHFFFAOYSA-N
XLogP3.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-nonoxy-2-propanoyloxyphenyl) propanoate
CID 90024592
[2-hydroxy-6-(2-methoxyethoxy)phenyl] propanoate
CID 67735914
2,3-dipentoxyphenol
CID 57426098
(2-heptanoyloxy-3-octoxyphenyl) heptanoate
CID 90024985
5-pentoxynaphthalen-1-ol
CID 67823980
(2-pentanoyloxy-3-pentoxyphenyl) pentanoate
CID 90032453
3-tetradecoxybenzene-1,2-diol
CID 152769078
[2-propanoyloxy-3-(4-propan-2-yloxybutoxy)phenyl] propanoate
CID 150642237
1,2,3-trihexadecoxybenzene
CID 15518170
1,2,3-tridodecoxybenzene
CID 11308140
(2,6-dihydroxyphenyl) octadecanoate
CID 67788955
2-tridecoxyphenol
CID 67178320

Frequently Asked Questions

What is the IUPAC name of (2-hexoxy-6-hydroxyphenyl) propanoate?
The IUPAC name of (2-hexoxy-6-hydroxyphenyl) propanoate (CID 91538458) is (2-hexoxy-6-hydroxyphenyl) propanoate.
What is the SMILES notation for (2-hexoxy-6-hydroxyphenyl) propanoate?
The canonical SMILES for (2-hexoxy-6-hydroxyphenyl) propanoate is CCCCCCOc1cccc(O)c1OC(=O)CC.
What is the InChIKey of (2-hexoxy-6-hydroxyphenyl) propanoate?
The InChIKey is MOCUKUREKIBNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-5-6-7-11-18-13-10-8-9-12(16)15(13)19-14(17)4-2/h8-10,16H,3-7,11H2,1-2H3.
What are the key properties of (2-hexoxy-6-hydroxyphenyl) propanoate?
(2-hexoxy-6-hydroxyphenyl) propanoate has a molecular weight of 266.34 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hexoxy-6-hydroxyphenyl) propanoate is sourced from PubChem (CID 91538458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).