2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol

C19H32O — CID 23561492

IUPAC2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol
SMILESCC(C)C(C(C)C)C(C)Cc1cccc(C(C)(C)O)c1
InChIInChI=1S/C19H32O/c1-13(2)18(14(3)4)15(5)11-16-9-8-10-17(12-16)19(6,7)20/h8-10,12-15,18,20H,11H2,1-7H3
InChIKeyGOMFNAHQHCDRNL-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.02
Rot. Bonds6

About 2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol

2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol (PubChem CID 23561492) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol
PubChem CID23561492
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol
SMILESCC(C)C(C(C)C)C(C)Cc1cccc(C(C)(C)O)c1
InChIInChI=1S/C19H32O/c1-13(2)18(14(3)4)15(5)11-16-9-8-10-17(12-16)19(6,7)20/h8-10,12-15,18,20H,11H2,1-7H3
InChIKeyGOMFNAHQHCDRNL-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(2R)-2,4-dimethyl-3-propan-2-ylpentyl]phenyl]propan-2-ol
CID 59038714
2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol);2,6,8-trimethyl-7-propan-2-ylnonan-2-ol;(6S)-2,6,8-trimethyl-7-propan-2-ylnonan-2-ol;2,6,8-trimethyl-7-propan-2-ylnon-3-yn-2-ol
CID 159146942
2-[3-(fluoromethyl)phenyl]propan-2-ol
CID 12844398
2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol
CID 117310696
3-(3-tert-butylphenyl)-2-methylpropan-1-ol
CID 53466403
2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542792
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-ol
CID 116542343
3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol)
CID 160740621
1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 69374582
1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542789

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol?
The IUPAC name of 2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol (CID 23561492) is 2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol is CC(C)C(C(C)C)C(C)Cc1cccc(C(C)(C)O)c1.
What is the InChIKey of 2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol?
The InChIKey is GOMFNAHQHCDRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-13(2)18(14(3)4)15(5)11-16-9-8-10-17(12-16)19(6,7)20/h8-10,12-15,18,20H,11H2,1-7H3.
What are the key properties of 2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol?
2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol has a molecular weight of 276.46 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol is sourced from PubChem (CID 23561492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).