4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol

C16H26O3 — CID 10659422

IUPAC4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol
SMILESCc1cc(OCCCCCCCO)c(C)c(C)c1O
InChIInChI=1S/C16H26O3/c1-12-11-15(13(2)14(3)16(12)18)19-10-8-6-4-5-7-9-17/h11,17-18H,4-10H2,1-3H3
InChIKeyGJNBJDISZMFFTP-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.64
Rot. Bonds8

About 4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol

4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol (PubChem CID 10659422) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol
PubChem CID10659422
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol
SMILESCc1cc(OCCCCCCCO)c(C)c(C)c1O
InChIInChI=1S/C16H26O3/c1-12-11-15(13(2)14(3)16(12)18)19-10-8-6-4-5-7-9-17/h11,17-18H,4-10H2,1-3H3
InChIKeyGJNBJDISZMFFTP-UHFFFAOYSA-N
XLogP3.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(2-bromoethoxy)pentoxy]-2,3,6-trimethylphenol
CID 139840535
4-[2-(2-hydroxyethylsulfanyl)ethoxy]-2,3,6-trimethylphenol
CID 139840536
4-(2-bromoethoxy)-2,3,6-trimethylphenol
CID 10539183
10-[3,6,7,10,11-pentakis(10-hydroxydecoxy)triphenylen-2-yl]oxydecan-1-ol
CID 101376411
8-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyoctan-1-ol
CID 141224322
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
2,5-dibutoxy-3,6-dimethylphenol
CID 90435242
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
11-[[6,12,13,19,20-pentakis(11-hydroxyundecoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxy]undecan-1-ol
CID 10419007
5-(5-amino-2-methylphenoxy)pentan-1-ol
CID 62229865
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182

Frequently Asked Questions

What is the IUPAC name of 4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol?
The IUPAC name of 4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol (CID 10659422) is 4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol.
What is the SMILES notation for 4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol?
The canonical SMILES for 4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol is Cc1cc(OCCCCCCCO)c(C)c(C)c1O.
What is the InChIKey of 4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol?
The InChIKey is GJNBJDISZMFFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-12-11-15(13(2)14(3)16(12)18)19-10-8-6-4-5-7-9-17/h11,17-18H,4-10H2,1-3H3.
What are the key properties of 4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol?
4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol has a molecular weight of 266.38 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol is sourced from PubChem (CID 10659422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).