4-(4-methylhexan-3-yl)phenol

C13H20O — CID 123259382

IUPAC4-(4-methylhexan-3-yl)phenol
SMILESCCC(C)C(CC)c1ccc(O)cc1
InChIInChI=1S/C13H20O/c1-4-10(3)13(5-2)11-6-8-12(14)9-7-11/h6-10,13-14H,4-5H2,1-3H3
InChIKeyNWCZVOUVVXFRQV-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.93
Rot. Bonds4

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

4-(4-methylhexan-3-yl)phenol (PubChem CID 123259382) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-(4-methylhexan-3-yl)phenol.

Molecular Properties

Compound Name4-(4-methylhexan-3-yl)phenol
PubChem CID123259382
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-(4-methylhexan-3-yl)phenol
SMILESCCC(C)C(CC)c1ccc(O)cc1
InChIInChI=1S/C13H20O/c1-4-10(3)13(5-2)11-6-8-12(14)9-7-11/h6-10,13-14H,4-5H2,1-3H3
InChIKeyNWCZVOUVVXFRQV-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylheptan-4-yl)phenol
CID 123454111
4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol
CID 4546967
4-(4-methyloctan-3-yl)phenol
CID 91753369
4-(3,6,6-trimethyloctan-4-yl)phenol
CID 123661034
4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 160569635
4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol
CID 12962984
4-[(3S)-4-hydroxyhexan-3-yl]phenol
CID 175488649
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178
4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol
CID 21123610
(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid
CID 12962939
2-(4-hydroxyphenyl)-3-methylpentanoic acid
CID 83820428

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylhexan-3-yl)phenol?
The IUPAC name of 4-(4-methylhexan-3-yl)phenol (CID 123259382) is 4-(4-methylhexan-3-yl)phenol.
What is the SMILES notation for 4-(4-methylhexan-3-yl)phenol?
The canonical SMILES for 4-(4-methylhexan-3-yl)phenol is CCC(C)C(CC)c1ccc(O)cc1.
What is the InChIKey of 4-(4-methylhexan-3-yl)phenol?
The InChIKey is NWCZVOUVVXFRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-10(3)13(5-2)11-6-8-12(14)9-7-11/h6-10,13-14H,4-5H2,1-3H3.
What are the key properties of 4-(4-methylhexan-3-yl)phenol?
4-(4-methylhexan-3-yl)phenol has a molecular weight of 192.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylhexan-3-yl)phenol is sourced from PubChem (CID 123259382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).