2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol

C19H26O — CID 141067173

IUPAC2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol
SMILESCC1=CC(c2ccccc2C(O)C(C)(C)C)C(C)=C1C
InChIInChI=1S/C19H26O/c1-12-11-17(14(3)13(12)2)15-9-7-8-10-16(15)18(20)19(4,5)6/h7-11,17-18,20H,1-6H3
InChIKeyIIUVAOIJHSWVLY-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.15
Rot. Bonds2

About 2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol

2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol (PubChem CID 141067173) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol
PubChem CID141067173
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol
SMILESCC1=CC(c2ccccc2C(O)C(C)(C)C)C(C)=C1C
InChIInChI=1S/C19H26O/c1-12-11-17(14(3)13(12)2)15-9-7-8-10-16(15)18(20)19(4,5)6/h7-11,17-18,20H,1-6H3
InChIKeyIIUVAOIJHSWVLY-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methyl]propan-2-amine
CID 154499944
phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol
CID 141067446
2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115796515
1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 115796476
(1R)-1-(2-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939856
2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide
CID 44723629
1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 105467275
1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 15732089
3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 18670048
1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 61101734
1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol
CID 105447479
2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol
CID 139951457

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol (CID 141067173) is 2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol is CC1=CC(c2ccccc2C(O)C(C)(C)C)C(C)=C1C.
What is the InChIKey of 2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol?
The InChIKey is IIUVAOIJHSWVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-12-11-17(14(3)13(12)2)15-9-7-8-10-16(15)18(20)19(4,5)6/h7-11,17-18,20H,1-6H3.
What are the key properties of 2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol?
2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol has a molecular weight of 270.42 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 141067173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).