4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol

C15H24O3 — CID 70931644

IUPAC4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol
SMILESCCCCC(CC)c1cc(CO)c(O)c(CO)c1
InChIInChI=1S/C15H24O3/c1-3-5-6-11(4-2)12-7-13(9-16)15(18)14(8-12)10-17/h7-8,11,16-18H,3-6,9-10H2,1-2H3
InChIKeyXAJMCWNKHZNTKU-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.06
Rot. Bonds7

About 4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol

4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol (PubChem CID 70931644) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol
PubChem CID70931644
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol
SMILESCCCCC(CC)c1cc(CO)c(O)c(CO)c1
InChIInChI=1S/C15H24O3/c1-3-5-6-11(4-2)12-7-13(9-16)15(18)14(8-12)10-17/h7-8,11,16-18H,3-6,9-10H2,1-2H3
InChIKeyXAJMCWNKHZNTKU-UHFFFAOYSA-N
XLogP3.06
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-heptan-3-ylphenol
CID 174826820
1,3-dimethyl-5-octan-3-ylbenzene
CID 19963892
3-(3,5-diethyl-4-hydroxyphenyl)nonadecanoic acid
CID 118862062
3-(3,5-diethyl-4-hydroxyphenyl)tricosanoic acid
CID 118862198
heptan-3-ylbenzene;methane
CID 159006232
1-heptan-3-yl-4-propan-2-ylbenzene
CID 58413560
4-dodecan-3-ylphenol
CID 12820022
1,2-dichloro-4-heptan-3-ylbenzene
CID 175611327
5-[(3S)-heptan-3-yl]-1,3-benzodioxole
CID 142262614
2-[[2-hydroxy-3-(hydroxymethyl)-5-nonylphenyl]methyl]-6-(hydroxymethyl)-4-nonylphenol
CID 118909015
3-tert-butyl-2-(2-tert-butyl-4-heptan-3-ylphenyl)-5-heptan-3-ylphenol
CID 141260407
3-(3-ethyl-4-hydroxy-5-methylphenyl)pentadecanoic acid
CID 118862120

Frequently Asked Questions

What is the IUPAC name of 4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol?
The IUPAC name of 4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol (CID 70931644) is 4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol.
What is the SMILES notation for 4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol?
The canonical SMILES for 4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol is CCCCC(CC)c1cc(CO)c(O)c(CO)c1.
What is the InChIKey of 4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol?
The InChIKey is XAJMCWNKHZNTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-5-6-11(4-2)12-7-13(9-16)15(18)14(8-12)10-17/h7-8,11,16-18H,3-6,9-10H2,1-2H3.
What are the key properties of 4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol?
4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol has a molecular weight of 252.35 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-3-yl-2,6-bis(hydroxymethyl)phenol is sourced from PubChem (CID 70931644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).