1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone

C12H16O3 — CID 18388441

IUPAC1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone
SMILESCCCc1c(O)ccc(C(C)=O)c1OC
InChIInChI=1S/C12H16O3/c1-4-5-10-11(14)7-6-9(8(2)13)12(10)15-3/h6-7,14H,4-5H2,1-3H3
InChIKeyGEDWOFHTPFKECW-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.56
Rot. Bonds4

About 1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone

1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone (PubChem CID 18388441) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone
PubChem CID18388441
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone
SMILESCCCc1c(O)ccc(C(C)=O)c1OC
InChIInChI=1S/C12H16O3/c1-4-5-10-11(14)7-6-9(8(2)13)12(10)15-3/h6-7,14H,4-5H2,1-3H3
InChIKeyGEDWOFHTPFKECW-UHFFFAOYSA-N
XLogP2.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone
CID 147717249
1-(6-hydroxy-5-propylnaphthalen-2-yl)ethanone
CID 125472648
1-[3-ethyl-2-methoxy-4-(trifluoromethyl)phenyl]ethanone
CID 171033840
1-(3-benzyl-2,4-dimethoxyphenyl)ethanone
CID 14523506
4-acetyl-2-ethyl-3-methoxybenzonitrile
CID 131616329
1-(4-chloro-2,3-dimethoxyphenyl)ethanone
CID 84680566
3-methoxy-2-propylphenol
CID 10607156
1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane
CID 174734462
bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone
CID 54305592
3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid
CID 117325049
3-ethyl-2-methoxy-4-propylphenol
CID 67547848
(2S)-4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxybutanoic acid
CID 38358386

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone?
The IUPAC name of 1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone (CID 18388441) is 1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone?
The canonical SMILES for 1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone is CCCc1c(O)ccc(C(C)=O)c1OC.
What is the InChIKey of 1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone?
The InChIKey is GEDWOFHTPFKECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-5-10-11(14)7-6-9(8(2)13)12(10)15-3/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone?
1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone is sourced from PubChem (CID 18388441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).