4-(4-methyloctan-3-yl)phenol

C15H24O — CID 91753369

IUPAC4-(4-methyloctan-3-yl)phenol
SMILESCCCCC(C)C(CC)c1ccc(O)cc1
InChIInChI=1S/C15H24O/c1-4-6-7-12(3)15(5-2)13-8-10-14(16)11-9-13/h8-12,15-16H,4-7H2,1-3H3
InChIKeyHHAGESYNXSYYRB-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.71
Rot. Bonds6

About 4-(4-methyloctan-3-yl)phenol

4-(4-methyloctan-3-yl)phenol (PubChem CID 91753369) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(4-methyloctan-3-yl)phenol.

Molecular Properties

Compound Name4-(4-methyloctan-3-yl)phenol
PubChem CID91753369
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-(4-methyloctan-3-yl)phenol
SMILESCCCCC(C)C(CC)c1ccc(O)cc1
InChIInChI=1S/C15H24O/c1-4-6-7-12(3)15(5-2)13-8-10-14(16)11-9-13/h8-12,15-16H,4-7H2,1-3H3
InChIKeyHHAGESYNXSYYRB-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-methylhexan-3-yl)phenol
CID 123259382
4-(2-methylheptan-3-yl)phenol
CID 174396505
4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol
CID 158116149
4-(3-methylheptan-4-yl)phenol
CID 123454111
4-hexan-2-ylphenol
CID 12579179
4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol
CID 4546967
4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 160569635
4-(1-hydrazinylpentyl)phenol
CID 53402339
4-[(3S)-4-hydroxyhexan-3-yl]phenol
CID 175488649
4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol
CID 12962984
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
CID 174905836

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyloctan-3-yl)phenol?
The IUPAC name of 4-(4-methyloctan-3-yl)phenol (CID 91753369) is 4-(4-methyloctan-3-yl)phenol.
What is the SMILES notation for 4-(4-methyloctan-3-yl)phenol?
The canonical SMILES for 4-(4-methyloctan-3-yl)phenol is CCCCC(C)C(CC)c1ccc(O)cc1.
What is the InChIKey of 4-(4-methyloctan-3-yl)phenol?
The InChIKey is HHAGESYNXSYYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-6-7-12(3)15(5-2)13-8-10-14(16)11-9-13/h8-12,15-16H,4-7H2,1-3H3.
What are the key properties of 4-(4-methyloctan-3-yl)phenol?
4-(4-methyloctan-3-yl)phenol has a molecular weight of 220.36 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyloctan-3-yl)phenol is sourced from PubChem (CID 91753369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).