2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid

C15H18O4 — CID 134828517

IUPAC2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid
SMILESCCCC1(CC(=O)O)CCc2cc(O)ccc2C1=O
InChIInChI=1S/C15H18O4/c1-2-6-15(9-13(17)18)7-5-10-8-11(16)3-4-12(10)14(15)19/h3-4,8,16H,2,5-7,9H2,1H3,(H,17,18)
InChIKeyDAFIAPLHSVTOLD-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.78
Rot. Bonds4

About 2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid

2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid (PubChem CID 134828517) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid
PubChem CID134828517
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid
SMILESCCCC1(CC(=O)O)CCc2cc(O)ccc2C1=O
InChIInChI=1S/C15H18O4/c1-2-6-15(9-13(17)18)7-5-10-8-11(16)3-4-12(10)14(15)19/h3-4,8,16H,2,5-7,9H2,1H3,(H,17,18)
InChIKeyDAFIAPLHSVTOLD-UHFFFAOYSA-N
XLogP2.78
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid 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

fluoro 2-(2-ethyl-6-hydroxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 144625647
7-hydroxy-1-methyl-3a-propyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one
CID 10422553
2-[2-ethyl-6-[4-[(4-methoxyphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetic acid
CID 71061696
ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
CID 118477298
2-[6-[4-[(4-chlorophenyl)carbamoylamino]-3-fluorophenyl]-2-ethyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetic acid
CID 71061458
methyl 6,6-diethyl-5-oxo-7,8-dihydronaphthalene-2-carboxylate
CID 102085766
2,2-bis(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one
CID 102026561
2-[6-[4-[(4-ethylphenyl)carbamoylamino]phenyl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid
CID 118477303
2-[(2R)-6-[4-[(4-ethylphenyl)carbamoylamino]phenyl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid
CID 118467770
ethyl 2-(2-ethyl-6-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 71062915
5-fluoro-2-(3-oxobutyl)-2-propyl-3H-inden-1-one
CID 102386673
2-[6-[5-[(3,5-dimethylphenyl)carbamoylamino]pyrazin-2-yl]-2-ethyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetic acid
CID 71061704

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid (CID 134828517) is 2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid is CCCC1(CC(=O)O)CCc2cc(O)ccc2C1=O.
What is the InChIKey of 2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid?
The InChIKey is DAFIAPLHSVTOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-2-6-15(9-13(17)18)7-5-10-8-11(16)3-4-12(10)14(15)19/h3-4,8,16H,2,5-7,9H2,1H3,(H,17,18).
What are the key properties of 2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid?
2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid has a molecular weight of 262.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-1-oxo-2-propyl-3,4-dihydronaphthalen-2-yl)acetic acid is sourced from PubChem (CID 134828517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).