2-(3-butoxy-4-tert-butylphenyl)ethanol

C16H26O2 — CID 89492931

IUPAC2-(3-butoxy-4-tert-butylphenyl)ethanol
SMILESCCCCOc1cc(CCO)ccc1C(C)(C)C
InChIInChI=1S/C16H26O2/c1-5-6-11-18-15-12-13(9-10-17)7-8-14(15)16(2,3)4/h7-8,12,17H,5-6,9-11H2,1-4H3
InChIKeyRSBLYYDGYHURJS-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.70
Rot. Bonds6

About 2-(3-butoxy-4-tert-butylphenyl)ethanol

2-(3-butoxy-4-tert-butylphenyl)ethanol (PubChem CID 89492931) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-(3-butoxy-4-tert-butylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-butoxy-4-tert-butylphenyl)ethanol
PubChem CID89492931
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-(3-butoxy-4-tert-butylphenyl)ethanol
SMILESCCCCOc1cc(CCO)ccc1C(C)(C)C
InChIInChI=1S/C16H26O2/c1-5-6-11-18-15-12-13(9-10-17)7-8-14(15)16(2,3)4/h7-8,12,17H,5-6,9-11H2,1-4H3
InChIKeyRSBLYYDGYHURJS-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-bis[2-butoxy-4-(2-hydroxyethyl)phenyl]cyclobuta-1,3-diene-1,3-diol
CID 172715824
2-(2-tert-butyl-4-propylphenoxy)ethanol
CID 146523971
2-(3-butoxy-4-tert-butylphenoxy)acetic acid
CID 21097481
4-(3-butoxy-4-diazenylphenyl)butan-1-ol
CID 66821853
2-tert-butyl-4-(3-chloropropyl)-1-propoxybenzene
CID 83934424
1-(3-butoxy-4-tert-butylphenyl)piperazine
CID 89492946
(4-butoxy-3-methoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)azanium
CID 2217236
2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide
CID 25166880
[4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol
CID 176638011
1-tert-butyl-2-heptoxybenzene
CID 64763672
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
3-amino-4-(3-butoxy-4-methylphenyl)-2,2-dimethylbutan-1-ol
CID 145075402

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxy-4-tert-butylphenyl)ethanol?
The IUPAC name of 2-(3-butoxy-4-tert-butylphenyl)ethanol (CID 89492931) is 2-(3-butoxy-4-tert-butylphenyl)ethanol.
What is the SMILES notation for 2-(3-butoxy-4-tert-butylphenyl)ethanol?
The canonical SMILES for 2-(3-butoxy-4-tert-butylphenyl)ethanol is CCCCOc1cc(CCO)ccc1C(C)(C)C.
What is the InChIKey of 2-(3-butoxy-4-tert-butylphenyl)ethanol?
The InChIKey is RSBLYYDGYHURJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-6-11-18-15-12-13(9-10-17)7-8-14(15)16(2,3)4/h7-8,12,17H,5-6,9-11H2,1-4H3.
What are the key properties of 2-(3-butoxy-4-tert-butylphenyl)ethanol?
2-(3-butoxy-4-tert-butylphenyl)ethanol has a molecular weight of 250.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxy-4-tert-butylphenyl)ethanol is sourced from PubChem (CID 89492931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).