4-[4-(2-ethylbutoxy)phenyl]butan-2-ol

C16H26O2 — CID 82928939

IUPAC4-[4-(2-ethylbutoxy)phenyl]butan-2-ol
SMILESCCC(CC)COc1ccc(CCC(C)O)cc1
InChIInChI=1S/C16H26O2/c1-4-14(5-2)12-18-16-10-8-15(9-11-16)7-6-13(3)17/h8-11,13-14,17H,4-7,12H2,1-3H3
InChIKeyGFUYKHIYKAAGTL-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.82
Rot. Bonds8

About 4-[4-(2-ethylbutoxy)phenyl]butan-2-ol

4-[4-(2-ethylbutoxy)phenyl]butan-2-ol (PubChem CID 82928939) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 4-[4-(2-ethylbutoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-(2-ethylbutoxy)phenyl]butan-2-ol
PubChem CID82928939
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name4-[4-(2-ethylbutoxy)phenyl]butan-2-ol
SMILESCCC(CC)COc1ccc(CCC(C)O)cc1
InChIInChI=1S/C16H26O2/c1-4-14(5-2)12-18-16-10-8-15(9-11-16)7-6-13(3)17/h8-11,13-14,17H,4-7,12H2,1-3H3
InChIKeyGFUYKHIYKAAGTL-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-ethylbutoxy)phenyl]butan-2-amine
CID 82926712
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
1-(chloromethyl)-4-(2-ethylbutoxy)benzene
CID 82928128
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
1-(bromomethyl)-4-(2-ethylbutoxy)benzene
CID 82929266
4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol
CID 43504128
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224
4-[4-(4-decoxyphenyl)phenyl]butan-2-ol
CID 18927874
1-(4-pentylphenoxy)propan-2-ol
CID 142276328
4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol
CID 112689131
4-(4-pent-4-ynoxyphenyl)butan-2-ol
CID 113343854

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethylbutoxy)phenyl]butan-2-ol?
The IUPAC name of 4-[4-(2-ethylbutoxy)phenyl]butan-2-ol (CID 82928939) is 4-[4-(2-ethylbutoxy)phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-(2-ethylbutoxy)phenyl]butan-2-ol?
The canonical SMILES for 4-[4-(2-ethylbutoxy)phenyl]butan-2-ol is CCC(CC)COc1ccc(CCC(C)O)cc1.
What is the InChIKey of 4-[4-(2-ethylbutoxy)phenyl]butan-2-ol?
The InChIKey is GFUYKHIYKAAGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-14(5-2)12-18-16-10-8-15(9-11-16)7-6-13(3)17/h8-11,13-14,17H,4-7,12H2,1-3H3.
What are the key properties of 4-[4-(2-ethylbutoxy)phenyl]butan-2-ol?
4-[4-(2-ethylbutoxy)phenyl]butan-2-ol has a molecular weight of 250.38 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethylbutoxy)phenyl]butan-2-ol is sourced from PubChem (CID 82928939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).