oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate

C18H26O4 — CID 19864992

IUPACoxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate
SMILESCC(C)(CCCC(=O)OC1CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C18H26O4/c1-18(2,14-5-7-15(19)8-6-14)11-3-4-17(20)22-16-9-12-21-13-10-16/h5-8,16,19H,3-4,9-13H2,1-2H3
InChIKeyNHZOZZLVTNTRMY-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.56
Rot. Bonds6

About oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate

oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate (PubChem CID 19864992) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate.

Molecular Properties

Compound Nameoxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate
PubChem CID19864992
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Nameoxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate
SMILESCC(C)(CCCC(=O)OC1CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C18H26O4/c1-18(2,14-5-7-15(19)8-6-14)11-3-4-17(20)22-16-9-12-21-13-10-16/h5-8,16,19H,3-4,9-13H2,1-2H3
InChIKeyNHZOZZLVTNTRMY-UHFFFAOYSA-N
XLogP3.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Enterolactone
CID 114739
3-(3',5'-Di-tert-butyl-4'-hydroxyphenyl)propionic acid
CID 88389
4,4'-Bis(4-hydroxyphenyl)valeric acid
CID 67174
Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate
CID 16386
Antioxidant 245
CID 91620
Benzenepropanoic acid, 4-hydroxy-, methyl ester
CID 79706
Hexamethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
CID 64870
Methyl di-t-butyl hydroxyhydrocinnamate
CID 62603
2,3-Bis(3'-hydroxybenzyl)butyrolactone
CID 123917
2-(4-Hydroxyphenyl)propionic acid
CID 102526
(3R,4R)-3,4-bis((3-hydroxyphenyl)methyl)oxolan-2-one
CID 10685477
Ethyl 4-hydroxyphenylacetate
CID 28310

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate?
The IUPAC name of oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate (CID 19864992) is oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate.
What is the SMILES notation for oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate?
The canonical SMILES for oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate is CC(C)(CCCC(=O)OC1CCOCC1)c1ccc(O)cc1.
What is the InChIKey of oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate?
The InChIKey is NHZOZZLVTNTRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-18(2,14-5-7-15(19)8-6-14)11-3-4-17(20)22-16-9-12-21-13-10-16/h5-8,16,19H,3-4,9-13H2,1-2H3.
What are the key properties of oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate?
oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate has a molecular weight of 306.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate is sourced from PubChem (CID 19864992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).