5-hydroxy-1-(3-methoxyphenyl)pentan-2-one

C12H16O3 — CID 106677432

IUPAC5-hydroxy-1-(3-methoxyphenyl)pentan-2-one
SMILESCOc1cccc(CC(=O)CCCO)c1
InChIInChI=1S/C12H16O3/c1-15-12-6-2-4-10(9-12)8-11(14)5-3-7-13/h2,4,6,9,13H,3,5,7-8H2,1H3
InChIKeySNSZQPDPCXPNTB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.58
Rot. Bonds6

About 5-hydroxy-1-(3-methoxyphenyl)pentan-2-one

5-hydroxy-1-(3-methoxyphenyl)pentan-2-one (PubChem CID 106677432) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-hydroxy-1-(3-methoxyphenyl)pentan-2-one.

Molecular Properties

Compound Name5-hydroxy-1-(3-methoxyphenyl)pentan-2-one
PubChem CID106677432
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name5-hydroxy-1-(3-methoxyphenyl)pentan-2-one
SMILESCOc1cccc(CC(=O)CCCO)c1
InChIInChI=1S/C12H16O3/c1-15-12-6-2-4-10(9-12)8-11(14)5-3-7-13/h2,4,6,9,13H,3,5,7-8H2,1H3
InChIKeySNSZQPDPCXPNTB-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)heptan-2-one
CID 61056670
5-ethoxy-1-(3-methoxyphenyl)pentan-2-one
CID 105088612
4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one
CID 116565758
1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one
CID 105088613
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 55090408
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840
1-(3-methoxyphenyl)hex-4-yn-2-one
CID 62311381
1-(3-methoxyphenyl)heptan-4-one
CID 64502649
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(3-methoxyphenyl)pentan-2-one?
The IUPAC name of 5-hydroxy-1-(3-methoxyphenyl)pentan-2-one (CID 106677432) is 5-hydroxy-1-(3-methoxyphenyl)pentan-2-one.
What is the SMILES notation for 5-hydroxy-1-(3-methoxyphenyl)pentan-2-one?
The canonical SMILES for 5-hydroxy-1-(3-methoxyphenyl)pentan-2-one is COc1cccc(CC(=O)CCCO)c1.
What is the InChIKey of 5-hydroxy-1-(3-methoxyphenyl)pentan-2-one?
The InChIKey is SNSZQPDPCXPNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-15-12-6-2-4-10(9-12)8-11(14)5-3-7-13/h2,4,6,9,13H,3,5,7-8H2,1H3.
What are the key properties of 5-hydroxy-1-(3-methoxyphenyl)pentan-2-one?
5-hydroxy-1-(3-methoxyphenyl)pentan-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(3-methoxyphenyl)pentan-2-one is sourced from PubChem (CID 106677432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).