2,6-dimethylheptyl 4-hydroxybenzoate

C16H24O3 — CID 15176802

IUPAC2,6-dimethylheptyl 4-hydroxybenzoate
SMILESCC(C)CCCC(C)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H24O3/c1-12(2)5-4-6-13(3)11-19-16(18)14-7-9-15(17)10-8-14/h7-10,12-13,17H,4-6,11H2,1-3H3
InChIKeyLZSLXGDKHAVZAO-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.01
Rot. Bonds7

About 2,6-dimethylheptyl 4-hydroxybenzoate

2,6-dimethylheptyl 4-hydroxybenzoate (PubChem CID 15176802) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,6-dimethylheptyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2,6-dimethylheptyl 4-hydroxybenzoate
PubChem CID15176802
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2,6-dimethylheptyl 4-hydroxybenzoate
SMILESCC(C)CCCC(C)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H24O3/c1-12(2)5-4-6-13(3)11-19-16(18)14-7-9-15(17)10-8-14/h7-10,12-13,17H,4-6,11H2,1-3H3
InChIKeyLZSLXGDKHAVZAO-UHFFFAOYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-dimethyloctyl 4-hydroxybenzoate
CID 139634402
4-hydroxybenzoic acid;2-methylpropyl 4-hydroxybenzoate
CID 159405948
2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate
CID 70155942
[4-(4-hydroxyphenoxy)carbonylphenyl] 4-[(3S)-3,7-dimethyloctoxy]benzoate
CID 138718417
2-methylbutyl 4-[(4-hydroxyphenyl)diazenyl]benzoate
CID 176756039
[4-(2,6-dimethylheptoxycarbonyl)phenyl] 4-undecoxybenzoate
CID 14250991
4-(2-methylpentoxycarbonyl)benzoic acid
CID 174193662
2-decyltetradecyl 4-hydroxybenzoate
CID 22356700
2-fluoroheptyl 4-hydroxybenzoate
CID 71341169
2-methylpentyl 4-butylbenzoate
CID 91723771
2-fluorooctyl 4-hydroxybenzoate
CID 14401550
4-[bis(2-methylpropyl)amino]butyl 4-hydroxybenzoate
CID 139714320

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylheptyl 4-hydroxybenzoate?
The IUPAC name of 2,6-dimethylheptyl 4-hydroxybenzoate (CID 15176802) is 2,6-dimethylheptyl 4-hydroxybenzoate.
What is the SMILES notation for 2,6-dimethylheptyl 4-hydroxybenzoate?
The canonical SMILES for 2,6-dimethylheptyl 4-hydroxybenzoate is CC(C)CCCC(C)COC(=O)c1ccc(O)cc1.
What is the InChIKey of 2,6-dimethylheptyl 4-hydroxybenzoate?
The InChIKey is LZSLXGDKHAVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-12(2)5-4-6-13(3)11-19-16(18)14-7-9-15(17)10-8-14/h7-10,12-13,17H,4-6,11H2,1-3H3.
What are the key properties of 2,6-dimethylheptyl 4-hydroxybenzoate?
2,6-dimethylheptyl 4-hydroxybenzoate has a molecular weight of 264.37 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylheptyl 4-hydroxybenzoate is sourced from PubChem (CID 15176802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).