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

C18H20O3 — CID 19910752

IUPAC2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone
SMILESCCCc1cc(C(=O)CO)ccc1OCc1ccccc1
InChIInChI=1S/C18H20O3/c1-2-6-16-11-15(17(20)12-19)9-10-18(16)21-13-14-7-4-3-5-8-14/h3-5,7-11,19H,2,6,12-13H2,1H3
InChIKeyXIKYDKBUUUOGAX-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.39
Rot. Bonds7

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

2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone (PubChem CID 19910752) has the molecular formula C18H20O3 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone
PubChem CID19910752
Molecular FormulaC18H20O3
Molecular Weight284.35 g/mol
Exact Mass284.14
IUPAC Name2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone
SMILESCCCc1cc(C(=O)CO)ccc1OCc1ccccc1
InChIInChI=1S/C18H20O3/c1-2-6-16-11-15(17(20)12-19)9-10-18(16)21-13-14-7-4-3-5-8-14/h3-5,7-11,19H,2,6,12-13H2,1H3
InChIKeyXIKYDKBUUUOGAX-UHFFFAOYSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-phenylmethoxy-3-propylphenyl)acetamide
CID 57080743
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
CID 177405954
4-(1-nitrosoethyl)-1-phenylmethoxy-2-propylbenzene
CID 57231649
2-[3-(5-acetyl-2-phenylmethoxyphenyl)propyl]benzoic acid
CID 67659652
methyl 3-[3,4-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 142350282
1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone
CID 126558424
3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one
CID 146168049
diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate
CID 102243693
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
propyl N-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]carbamate
CID 129163589
2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone
CID 117391400

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone?
The IUPAC name of 2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone (CID 19910752) is 2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone?
The canonical SMILES for 2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone is CCCc1cc(C(=O)CO)ccc1OCc1ccccc1.
What is the InChIKey of 2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone?
The InChIKey is XIKYDKBUUUOGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-6-16-11-15(17(20)12-19)9-10-18(16)21-13-14-7-4-3-5-8-14/h3-5,7-11,19H,2,6,12-13H2,1H3.
What are the key properties of 2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone?
2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone has a molecular weight of 284.35 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone is sourced from PubChem (CID 19910752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).