2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol

C17H28O2 — CID 22374433

IUPAC2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol
SMILESCC(C)c1cccc(CCCC(C)(C)OCCO)c1
InChIInChI=1S/C17H28O2/c1-14(2)16-9-5-7-15(13-16)8-6-10-17(3,4)19-12-11-18/h5,7,9,13-14,18H,6,8,10-12H2,1-4H3
InChIKeyQCHYUKJUFQCENP-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.92
Rot. Bonds8

About 2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol

2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol (PubChem CID 22374433) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol
PubChem CID22374433
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol
SMILESCC(C)c1cccc(CCCC(C)(C)OCCO)c1
InChIInChI=1S/C17H28O2/c1-14(2)16-9-5-7-15(13-16)8-6-10-17(3,4)19-12-11-18/h5,7,9,13-14,18H,6,8,10-12H2,1-4H3
InChIKeyQCHYUKJUFQCENP-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(3-propan-2-ylphenyl)propanamide
CID 122496353
1-(3-methylpentyl)-3-propan-2-ylbenzene
CID 168942891
1-(hydroperoxymethyl)-3-propan-2-ylbenzene
CID 86217956
4-(3-propan-2-ylphenyl)butan-2-one
CID 129128469
3-[3-[1-[4-(N-(4-tert-butylphenyl)-4-propan-2-ylanilino)phenyl]-2-methylpropyl]phenyl]propan-1-ol
CID 144531276
2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
CID 64802030
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
2-(3-propan-2-ylanilino)ethanol
CID 28973580
3-[[(3-propan-2-ylphenyl)methylamino]methyl]benzoic acid
CID 122033043
ethyl 3-(3-propan-2-ylphenyl)propanoate
CID 59134593
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
(3-propan-2-ylphenyl)methanamine
CID 21085835

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol?
The IUPAC name of 2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol (CID 22374433) is 2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol.
What is the SMILES notation for 2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol?
The canonical SMILES for 2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol is CC(C)c1cccc(CCCC(C)(C)OCCO)c1.
What is the InChIKey of 2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol?
The InChIKey is QCHYUKJUFQCENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-14(2)16-9-5-7-15(13-16)8-6-10-17(3,4)19-12-11-18/h5,7,9,13-14,18H,6,8,10-12H2,1-4H3.
What are the key properties of 2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol?
2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol has a molecular weight of 264.41 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(3-propan-2-ylphenyl)pentan-2-yl]oxyethanol is sourced from PubChem (CID 22374433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).