[4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol

C20H26O — CID 157214226

IUPAC[4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol
SMILESCCC(c1ccc(CO)cc1)C(C)Cc1ccc(C)cc1
InChIInChI=1S/C20H26O/c1-4-20(19-11-9-18(14-21)10-12-19)16(3)13-17-7-5-15(2)6-8-17/h5-12,16,20-21H,4,13-14H2,1-3H3
InChIKeyASFPVLJGPLAJKU-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.86
Rot. Bonds6

About [4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol

[4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol (PubChem CID 157214226) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is [4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol
PubChem CID157214226
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name[4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol
SMILESCCC(c1ccc(CO)cc1)C(C)Cc1ccc(C)cc1
InChIInChI=1S/C20H26O/c1-4-20(19-11-9-18(14-21)10-12-19)16(3)13-17-7-5-15(2)6-8-17/h5-12,16,20-21H,4,13-14H2,1-3H3
InChIKeyASFPVLJGPLAJKU-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol
CID 4546967
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
(4-methylphenyl)methanol
CID 138734499
[4-(N-[4-[1-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2-methyl-3-(4-methylphenyl)propyl]phenyl]-4-methylanilino)phenyl]methanol
CID 58133230
1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
CID 176819628
3-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)propanoic acid
CID 82160685
ethane;(4-methylphenyl)methanol;hydrate
CID 144684706
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154
[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol
CID 124567142
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
[4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol
CID 115020728

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol?
The IUPAC name of [4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol (CID 157214226) is [4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol?
The canonical SMILES for [4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol is CCC(c1ccc(CO)cc1)C(C)Cc1ccc(C)cc1.
What is the InChIKey of [4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol?
The InChIKey is ASFPVLJGPLAJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-4-20(19-11-9-18(14-21)10-12-19)16(3)13-17-7-5-15(2)6-8-17/h5-12,16,20-21H,4,13-14H2,1-3H3.
What are the key properties of [4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol?
[4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol has a molecular weight of 282.43 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol is sourced from PubChem (CID 157214226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).