(2-hydroxy-5-methylphenyl) octanoate

C15H22O3 — CID 101290745

IUPAC(2-hydroxy-5-methylphenyl) octanoate
SMILESCCCCCCCC(=O)Oc1cc(C)ccc1O
InChIInChI=1S/C15H22O3/c1-3-4-5-6-7-8-15(17)18-14-11-12(2)9-10-13(14)16/h9-11,16H,3-8H2,1-2H3
InChIKeyYWENSCNCBWZGRT-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.97
Rot. Bonds7

About (2-hydroxy-5-methylphenyl) octanoate

(2-hydroxy-5-methylphenyl) octanoate (PubChem CID 101290745) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl) octanoate.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl) octanoate
PubChem CID101290745
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(2-hydroxy-5-methylphenyl) octanoate
SMILESCCCCCCCC(=O)Oc1cc(C)ccc1O
InChIInChI=1S/C15H22O3/c1-3-4-5-6-7-8-15(17)18-14-11-12(2)9-10-13(14)16/h9-11,16H,3-8H2,1-2H3
InChIKeyYWENSCNCBWZGRT-UHFFFAOYSA-N
XLogP3.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2-decanoyloxy-4-methylphenyl) decanoate
CID 140675700
(2-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl) octanoate
CID 15339454
(2,3,5-trimethylphenyl) octanoate
CID 177246695
10-O-(2-chloro-5-methylphenyl) 1-O-hexyl decanedioate
CID 91729364
6-O-(2-chloro-5-methylphenyl) 1-O-octyl hexanedioate
CID 91713504
(2-chloro-5-methylphenyl) pentanoate
CID 78780315
(2,3-dihydroxyphenyl) octanoate
CID 174963851
4-methyl-2-tetradecoxyphenol
CID 19014152
(3-heptanoyloxy-5-methylphenyl) heptanoate;(3-hexanoyloxy-5-methylphenyl) hexanoate
CID 177246744
[3,6,7,10,11-penta(undecanoyloxy)triphenylen-2-yl] undecanoate
CID 131883737
[3,6,7,10,11-penta(nonanoyloxy)triphenylen-2-yl] nonanoate
CID 131883736
[3,6,7,10,11-penta(dodecanoyloxy)triphenylen-2-yl] dodecanoate
CID 101120967

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl) octanoate?
The IUPAC name of (2-hydroxy-5-methylphenyl) octanoate (CID 101290745) is (2-hydroxy-5-methylphenyl) octanoate.
What is the SMILES notation for (2-hydroxy-5-methylphenyl) octanoate?
The canonical SMILES for (2-hydroxy-5-methylphenyl) octanoate is CCCCCCCC(=O)Oc1cc(C)ccc1O.
What is the InChIKey of (2-hydroxy-5-methylphenyl) octanoate?
The InChIKey is YWENSCNCBWZGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-4-5-6-7-8-15(17)18-14-11-12(2)9-10-13(14)16/h9-11,16H,3-8H2,1-2H3.
What are the key properties of (2-hydroxy-5-methylphenyl) octanoate?
(2-hydroxy-5-methylphenyl) octanoate has a molecular weight of 250.34 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylphenyl) octanoate is sourced from PubChem (CID 101290745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).