(3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol

C15H24O — CID 125487298

IUPAC(3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol
SMILESCc1ccc(C(C)(C)[C@H](C)C(C)(C)O)cc1
InChIInChI=1S/C15H24O/c1-11-7-9-13(10-8-11)14(3,4)12(2)15(5,6)16/h7-10,12,16H,1-6H3/t12-/m0/s1
InChIKeyLWSZJFJWNOKIIG-LBPRGKRZSA-N
MW220.36 g/mol
LogP3.68
Rot. Bonds3

About (3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol

(3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol (PubChem CID 125487298) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name(3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol
PubChem CID125487298
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol
SMILESCc1ccc(C(C)(C)[C@H](C)C(C)(C)O)cc1
InChIInChI=1S/C15H24O/c1-11-7-9-13(10-8-11)14(3,4)12(2)15(5,6)16/h7-10,12,16H,1-6H3/t12-/m0/s1
InChIKeyLWSZJFJWNOKIIG-LBPRGKRZSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane
CID 142109558
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009
3-hydroxy-2-methyl-3,3-bis(4-methylphenyl)propanenitrile
CID 163818996
1-tert-butyl-4-methylbenzene
CID 163486601
(2S)-2-amino-3-methyl-1,1-bis(4-methylphenyl)butan-1-ol
CID 18640444
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
2-amino-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-1-ol
CID 18373849
2-methyl-1-(4-methylphenyl)propane-1,2-diol
CID 10535384
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
(2R)-2-(4-methylphenyl)but-3-yn-2-ol
CID 51720513
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439

Frequently Asked Questions

What is the IUPAC name of (3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol?
The IUPAC name of (3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol (CID 125487298) is (3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol.
What is the SMILES notation for (3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol?
The canonical SMILES for (3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol is Cc1ccc(C(C)(C)[C@H](C)C(C)(C)O)cc1.
What is the InChIKey of (3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol?
The InChIKey is LWSZJFJWNOKIIG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24O/c1-11-7-9-13(10-8-11)14(3,4)12(2)15(5,6)16/h7-10,12,16H,1-6H3/t12-/m0/s1.
What are the key properties of (3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol?
(3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol is sourced from PubChem (CID 125487298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).