2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol

C15H24O2 — CID 66060643

IUPAC2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol
SMILESCCC(CO)(CCOC(C)C)c1ccccc1
InChIInChI=1S/C15H24O2/c1-4-15(12-16,10-11-17-13(2)3)14-8-6-5-7-9-14/h5-9,13,16H,4,10-12H2,1-3H3
InChIKeyYBAIHXPRCRMSQK-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.14
Rot. Bonds7

About 2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol

2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol (PubChem CID 66060643) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol
PubChem CID66060643
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol
SMILESCCC(CO)(CCOC(C)C)c1ccccc1
InChIInChI=1S/C15H24O2/c1-4-15(12-16,10-11-17-13(2)3)14-8-6-5-7-9-14/h5-9,13,16H,4,10-12H2,1-3H3
InChIKeyYBAIHXPRCRMSQK-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-methylpropyl)-2-phenyl-4-propan-2-yloxybutan-1-amine
CID 62725451
2-(2-bromophenyl)-2-(2-propan-2-yloxyethyl)propane-1,3-diol
CID 79448106
4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
CID 143493864
2-ethyl-2-phenylnonan-1-ol
CID 66057887
2-ethyl-2-phenyldecan-1-ol
CID 66058928
2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol
CID 106505969
2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol
CID 106508031
2-(4-methylpentyl)-2-phenylpropane-1,3-diol
CID 83168289
2-(methylaminomethyl)-2-phenylbutan-1-ol
CID 13463568
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489
(3-ethyl-3-phenylpentyl) acetate
CID 142276896
2-butyl-2-phenylpropane-1,3-diol
CID 79449681

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol?
The IUPAC name of 2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol (CID 66060643) is 2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol.
What is the SMILES notation for 2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol?
The canonical SMILES for 2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol is CCC(CO)(CCOC(C)C)c1ccccc1.
What is the InChIKey of 2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol?
The InChIKey is YBAIHXPRCRMSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-15(12-16,10-11-17-13(2)3)14-8-6-5-7-9-14/h5-9,13,16H,4,10-12H2,1-3H3.
What are the key properties of 2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol?
2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol is sourced from PubChem (CID 66060643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).