ethane;1-(4-hydroxyphenyl)propan-1-one

C11H16O2 — CID 144611752

IUPACethane;1-(4-hydroxyphenyl)propan-1-one
SMILESCC.CCC(=O)c1ccc(O)cc1
InChIInChI=1S/C9H10O2.C2H6/c1-2-9(11)7-3-5-8(10)6-4-7;1-2/h3-6,10H,2H2,1H3;1-2H3
InChIKeyZOUWGXKZYCNHNZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.01
Rot. Bonds2

About ethane;1-(4-hydroxyphenyl)propan-1-one

ethane;1-(4-hydroxyphenyl)propan-1-one (PubChem CID 144611752) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is ethane;1-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Nameethane;1-(4-hydroxyphenyl)propan-1-one
PubChem CID144611752
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Nameethane;1-(4-hydroxyphenyl)propan-1-one
SMILESCC.CCC(=O)c1ccc(O)cc1
InChIInChI=1S/C9H10O2.C2H6/c1-2-9(11)7-3-5-8(10)6-4-7;1-2/h3-6,10H,2H2,1H3;1-2H3
InChIKeyZOUWGXKZYCNHNZ-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxybenzoic Acid
CID 135
Methylparaben
CID 7456
Propylparaben
CID 7175
Butylparaben
CID 7184
Ethylparaben
CID 8434
4-Hydroxybenzaldehyde
CID 126
Hydroxyphenylacetic acid
CID 127
4'-Hydroxyacetophenone
CID 7469
4-(4'-Hydroxyphenyl)-2-butanone
CID 21648
2'-Hydroxyacetophenone
CID 8375
4'-Methoxyacetophenone
CID 7476
3-(4-Hydroxyphenyl)propionic acid
CID 10394

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of ethane;1-(4-hydroxyphenyl)propan-1-one (CID 144611752) is ethane;1-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for ethane;1-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for ethane;1-(4-hydroxyphenyl)propan-1-one is CC.CCC(=O)c1ccc(O)cc1.
What is the InChIKey of ethane;1-(4-hydroxyphenyl)propan-1-one?
The InChIKey is ZOUWGXKZYCNHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C2H6/c1-2-9(11)7-3-5-8(10)6-4-7;1-2/h3-6,10H,2H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-hydroxyphenyl)propan-1-one?
ethane;1-(4-hydroxyphenyl)propan-1-one has a molecular weight of 180.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 144611752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).