4-(1-ethoxypropan-2-yl)phenol

C11H16O2 — CID 91168138

IUPAC4-(1-ethoxypropan-2-yl)phenol
SMILESCCOCC(C)c1ccc(O)cc1
InChIInChI=1S/C11H16O2/c1-3-13-8-9(2)10-4-6-11(12)7-5-10/h4-7,9,12H,3,8H2,1-2H3
InChIKeyCZWLAWMDTOGPLA-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.53
Rot. Bonds4

About 4-(1-ethoxypropan-2-yl)phenol

4-(1-ethoxypropan-2-yl)phenol (PubChem CID 91168138) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yl)phenol.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yl)phenol
PubChem CID91168138
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(1-ethoxypropan-2-yl)phenol
SMILESCCOCC(C)c1ccc(O)cc1
InChIInChI=1S/C11H16O2/c1-3-13-8-9(2)10-4-6-11(12)7-5-10/h4-7,9,12H,3,8H2,1-2H3
InChIKeyCZWLAWMDTOGPLA-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-pentoxypropan-2-yl)phenol
CID 18950152
4-(1-ethoxybutan-2-yl)phenol
CID 89112859
4-hexan-2-ylphenol
CID 12579179
4-(1-ethoxyethyl)phenol
CID 15774870
4-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol
CID 82980754
4-[6-(4-hydroxyphenyl)octan-2-yl]phenol
CID 23550616
4-[1-(diethylamino)propan-2-yl]phenol
CID 115025478
4-[(4-butan-2-ylphenyl)methyl]phenol
CID 170030483
4-hept-4-yn-2-ylphenol
CID 83930417
4-[4-(4-butan-2-ylphenoxy)phenyl]phenol
CID 131968930
4-(4-methylhexan-3-yl)phenol
CID 123259382
4-[1-(ethoxyamino)ethyl]phenol
CID 82709636

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yl)phenol?
The IUPAC name of 4-(1-ethoxypropan-2-yl)phenol (CID 91168138) is 4-(1-ethoxypropan-2-yl)phenol.
What is the SMILES notation for 4-(1-ethoxypropan-2-yl)phenol?
The canonical SMILES for 4-(1-ethoxypropan-2-yl)phenol is CCOCC(C)c1ccc(O)cc1.
What is the InChIKey of 4-(1-ethoxypropan-2-yl)phenol?
The InChIKey is CZWLAWMDTOGPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-13-8-9(2)10-4-6-11(12)7-5-10/h4-7,9,12H,3,8H2,1-2H3.
What are the key properties of 4-(1-ethoxypropan-2-yl)phenol?
4-(1-ethoxypropan-2-yl)phenol has a molecular weight of 180.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yl)phenol is sourced from PubChem (CID 91168138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).