3-methyl-4-octylphenol

C15H24O — CID 67863636

IUPAC3-methyl-4-octylphenol
SMILESCCCCCCCCc1ccc(O)cc1C
InChIInChI=1S/C15H24O/c1-3-4-5-6-7-8-9-14-10-11-15(16)12-13(14)2/h10-12,16H,3-9H2,1-2H3
InChIKeyRNHUXZFRJZKVCZ-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.60
Rot. Bonds7

About 3-methyl-4-octylphenol

3-methyl-4-octylphenol (PubChem CID 67863636) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-methyl-4-octylphenol.

Molecular Properties

Compound Name3-methyl-4-octylphenol
PubChem CID67863636
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3-methyl-4-octylphenol
SMILESCCCCCCCCc1ccc(O)cc1C
InChIInChI=1S/C15H24O/c1-3-4-5-6-7-8-9-14-10-11-15(16)12-13(14)2/h10-12,16H,3-9H2,1-2H3
InChIKeyRNHUXZFRJZKVCZ-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-tricosylbenzene-1,3-diol
CID 101133990
4-(3-hydroxypropyl)-3-methylphenol
CID 117276402
3-methyl-4-(14-methylsulfanyltetradecyl)phenol
CID 159002839
2-tridecylbenzene-1,4-diol
CID 19033717
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
CID 70369806
CID 70369806
CID 70568956
CID 70568956
3-methyl-4-octylaniline
CID 139523093
5,6-dihexylnaphthalen-2-ol
CID 67259351
5,6-dioctylnaphthalen-2-ol
CID 67259001
4-bromo-3-hexylphenol
CID 15007737
4-ethyl-2-methyl-1-pentylbenzene
CID 143596455

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-octylphenol?
The IUPAC name of 3-methyl-4-octylphenol (CID 67863636) is 3-methyl-4-octylphenol.
What is the SMILES notation for 3-methyl-4-octylphenol?
The canonical SMILES for 3-methyl-4-octylphenol is CCCCCCCCc1ccc(O)cc1C.
What is the InChIKey of 3-methyl-4-octylphenol?
The InChIKey is RNHUXZFRJZKVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-3-4-5-6-7-8-9-14-10-11-15(16)12-13(14)2/h10-12,16H,3-9H2,1-2H3.
What are the key properties of 3-methyl-4-octylphenol?
3-methyl-4-octylphenol has a molecular weight of 220.36 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-octylphenol is sourced from PubChem (CID 67863636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).