2-methyl-3-octylbenzene-1,4-diol

C15H24O2 — CID 67742656

IUPAC2-methyl-3-octylbenzene-1,4-diol
SMILESCCCCCCCCc1c(O)ccc(O)c1C
InChIInChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-13-12(2)14(16)10-11-15(13)17/h10-11,16-17H,3-9H2,1-2H3
InChIKeyMZSWBIDASCNZNJ-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.31
Rot. Bonds7

About 2-methyl-3-octylbenzene-1,4-diol

2-methyl-3-octylbenzene-1,4-diol (PubChem CID 67742656) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-methyl-3-octylbenzene-1,4-diol.

Molecular Properties

Compound Name2-methyl-3-octylbenzene-1,4-diol
PubChem CID67742656
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-methyl-3-octylbenzene-1,4-diol
SMILESCCCCCCCCc1c(O)ccc(O)c1C
InChIInChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-13-12(2)14(16)10-11-15(13)17/h10-11,16-17H,3-9H2,1-2H3
InChIKeyMZSWBIDASCNZNJ-UHFFFAOYSA-N
XLogP4.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexadec-5-enyl-3-methylbenzene-1,4-diol
CID 67637176
2,3-dihexylbenzene-1,4-diol
CID 69329716
2-chloro-3-dodecylbenzene-1,4-diol
CID 54013851
2-pentylbenzene-1,3-diol
CID 15007741
3,4-diheptyl-2-hexylphenol
CID 66866250
3-ethyl-4-methyl-2-nonylphenol
CID 66865942
4-ethyl-2-heptyl-3-pentylphenol
CID 66865655
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
4-ethyl-3-hexyl-2-octylphenol
CID 66866506
2-heptyl-4-methyl-3-propylphenol
CID 66865859
2-hexyl-3-methylphenol
CID 28322

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-octylbenzene-1,4-diol?
The IUPAC name of 2-methyl-3-octylbenzene-1,4-diol (CID 67742656) is 2-methyl-3-octylbenzene-1,4-diol.
What is the SMILES notation for 2-methyl-3-octylbenzene-1,4-diol?
The canonical SMILES for 2-methyl-3-octylbenzene-1,4-diol is CCCCCCCCc1c(O)ccc(O)c1C.
What is the InChIKey of 2-methyl-3-octylbenzene-1,4-diol?
The InChIKey is MZSWBIDASCNZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-13-12(2)14(16)10-11-15(13)17/h10-11,16-17H,3-9H2,1-2H3.
What are the key properties of 2-methyl-3-octylbenzene-1,4-diol?
2-methyl-3-octylbenzene-1,4-diol has a molecular weight of 236.35 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-octylbenzene-1,4-diol is sourced from PubChem (CID 67742656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).