4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol

C18H22O2 — CID 4546967

IUPAC4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol
SMILESCCC(c1ccc(O)cc1)C(C)Cc1ccc(O)cc1
InChIInChI=1S/C18H22O2/c1-3-18(15-6-10-17(20)11-7-15)13(2)12-14-4-8-16(19)9-5-14/h4-11,13,18-20H,3,12H2,1-2H3
InChIKeySTUVERPUPCPWJN-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.47
Rot. Bonds5

About 4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol

4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol (PubChem CID 4546967) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol
PubChem CID4546967
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol
SMILESCCC(c1ccc(O)cc1)C(C)Cc1ccc(O)cc1
InChIInChI=1S/C18H22O2/c1-3-18(15-6-10-17(20)11-7-15)13(2)12-14-4-8-16(19)9-5-14/h4-11,13,18-20H,3,12H2,1-2H3
InChIKeySTUVERPUPCPWJN-UHFFFAOYSA-N
XLogP4.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylhexan-3-yl)phenol
CID 123259382
[4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol
CID 157214226
4-(4-methyloctan-3-yl)phenol
CID 91753369
4-[(3S)-4-hydroxyhexan-3-yl]phenol
CID 175488649
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-[2,3,3-tris(4-hydroxyphenyl)propyl]phenol
CID 22041994
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
4-(3-methylheptan-4-yl)phenol
CID 123454111
4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol
CID 174786387
4-[(4-butan-2-ylphenyl)methyl]phenol
CID 170030483
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol (CID 4546967) is 4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol is CCC(c1ccc(O)cc1)C(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol?
The InChIKey is STUVERPUPCPWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-18(15-6-10-17(20)11-7-15)13(2)12-14-4-8-16(19)9-5-14/h4-11,13,18-20H,3,12H2,1-2H3.
What are the key properties of 4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol?
4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol has a molecular weight of 270.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol is sourced from PubChem (CID 4546967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).