1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone

C20H24O4 — CID 67936954

IUPAC1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CO)cc1.CCC(O)c1cccc(C(C)=O)c1
InChIInChI=1S/C11H14O2.C9H10O2/c1-3-11(13)10-6-4-5-9(7-10)8(2)12;1-7(11)9-4-2-8(6-10)3-5-9/h4-7,11,13H,3H2,1-2H3;2-5,10H,6H2,1H3
InChIKeySBCAKEPYWWNNPE-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.71
Rot. Bonds5

About 1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone

1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone (PubChem CID 67936954) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone
PubChem CID67936954
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CO)cc1.CCC(O)c1cccc(C(C)=O)c1
InChIInChI=1S/C11H14O2.C9H10O2/c1-3-11(13)10-6-4-5-9(7-10)8(2)12;1-7(11)9-4-2-8(6-10)3-5-9/h4-7,11,13H,3H2,1-2H3;2-5,10H,6H2,1H3
InChIKeySBCAKEPYWWNNPE-UHFFFAOYSA-N
XLogP3.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone
CID 91137941
1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
CID 58616042
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
CID 101265569
ethyl 2-(3-acetylphenyl)-2-ethoxyacetate
CID 174723952
1-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-hydroxyoctyl)phenyl]ethanone
CID 156763840
[2-(3-acetylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538231
1-[3-[(2R,5R)-5-phenylhept-3-yn-2-yl]phenyl]ethanone
CID 138911204
1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone
CID 54297695
1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone
CID 81133388
1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone
CID 75598820
(2R)-2-(3-acetylphenyl)propanenitrile
CID 124562052
1-(3-acetylphenyl)ethyl acetate
CID 155934907

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone (CID 67936954) is 1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone is CC(=O)c1ccc(CO)cc1.CCC(O)c1cccc(C(C)=O)c1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone?
The InChIKey is SBCAKEPYWWNNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C9H10O2/c1-3-11(13)10-6-4-5-9(7-10)8(2)12;1-7(11)9-4-2-8(6-10)3-5-9/h4-7,11,13H,3H2,1-2H3;2-5,10H,6H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone?
1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone has a molecular weight of 328.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone is sourced from PubChem (CID 67936954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).