3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol

C15H24O2 — CID 67873748

IUPAC3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol
SMILESCCOC(CCO)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H24O2/c1-4-17-15(9-10-16)14-7-5-13(6-8-14)11-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyCWQKRMWRIHRTCN-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.35
Rot. Bonds7

About 3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol

3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol (PubChem CID 67873748) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol
PubChem CID67873748
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol
SMILESCCOC(CCO)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H24O2/c1-4-17-15(9-10-16)14-7-5-13(6-8-14)11-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyCWQKRMWRIHRTCN-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 54122472
2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine
CID 79538272
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol
CID 106114426
3-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]butan-1-ol
CID 83177309
4-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 66091850
3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 165499580
4-(4-ethoxyphenyl)-3-methylbutan-1-ol
CID 112507798
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid
CID 83224518
1-[4-(2-methylpropyl)phenyl]-1-propoxypropan-2-one
CID 83226310
ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate
CID 135062979

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol?
The IUPAC name of 3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol (CID 67873748) is 3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol?
The canonical SMILES for 3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol is CCOC(CCO)c1ccc(CC(C)C)cc1.
What is the InChIKey of 3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol?
The InChIKey is CWQKRMWRIHRTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-17-15(9-10-16)14-7-5-13(6-8-14)11-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3.
What are the key properties of 3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol?
3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol is sourced from PubChem (CID 67873748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).