4-[4-(4-methylphenyl)hexan-3-yl]phenol

C19H24O — CID 3847836

IUPAC4-[4-(4-methylphenyl)hexan-3-yl]phenol
SMILESCCC(c1ccc(C)cc1)C(CC)c1ccc(O)cc1
InChIInChI=1S/C19H24O/c1-4-18(15-8-6-14(3)7-9-15)19(5-2)16-10-12-17(20)13-11-16/h6-13,18-20H,4-5H2,1-3H3
InChIKeyAUWUNEDFGHJFBH-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.39
Rot. Bonds5

About 4-[4-(4-methylphenyl)hexan-3-yl]phenol

4-[4-(4-methylphenyl)hexan-3-yl]phenol (PubChem CID 3847836) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)hexan-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)hexan-3-yl]phenol
PubChem CID3847836
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name4-[4-(4-methylphenyl)hexan-3-yl]phenol
SMILESCCC(c1ccc(C)cc1)C(CC)c1ccc(O)cc1
InChIInChI=1S/C19H24O/c1-4-18(15-8-6-14(3)7-9-15)19(5-2)16-10-12-17(20)13-11-16/h6-13,18-20H,4-5H2,1-3H3
InChIKeyAUWUNEDFGHJFBH-UHFFFAOYSA-N
XLogP5.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol
CID 12962984
4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 160569635
4-[(3S)-4-hydroxyhexan-3-yl]phenol
CID 175488649
4-(4-methylhexan-3-yl)phenol
CID 123259382
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178
1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
CID 176819628
butane;2-methylbutane;4-methylphenol
CID 155694307
4-methylphenol
CID 70549076
4-[1-(4-methylphenyl)ethyl]phenol
CID 23036862
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
4-methylphenol;2-methylpropane
CID 91606636
bis(4-methylphenol);tetrahydrochloride
CID 175346853

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)hexan-3-yl]phenol?
The IUPAC name of 4-[4-(4-methylphenyl)hexan-3-yl]phenol (CID 3847836) is 4-[4-(4-methylphenyl)hexan-3-yl]phenol.
What is the SMILES notation for 4-[4-(4-methylphenyl)hexan-3-yl]phenol?
The canonical SMILES for 4-[4-(4-methylphenyl)hexan-3-yl]phenol is CCC(c1ccc(C)cc1)C(CC)c1ccc(O)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)hexan-3-yl]phenol?
The InChIKey is AUWUNEDFGHJFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-4-18(15-8-6-14(3)7-9-15)19(5-2)16-10-12-17(20)13-11-16/h6-13,18-20H,4-5H2,1-3H3.
What are the key properties of 4-[4-(4-methylphenyl)hexan-3-yl]phenol?
4-[4-(4-methylphenyl)hexan-3-yl]phenol has a molecular weight of 268.40 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)hexan-3-yl]phenol is sourced from PubChem (CID 3847836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).