methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate

C17H18O4 — CID 174959812

IUPACmethyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate
SMILESC=C(CC(O)COc1cccc2ccccc12)C(=O)OC
InChIInChI=1S/C17H18O4/c1-12(17(19)20-2)10-14(18)11-21-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14,18H,1,10-11H2,2H3
InChIKeyPVHQYVAYNGGRGC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.70
Rot. Bonds6

About methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate

methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate (PubChem CID 174959812) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate
PubChem CID174959812
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namemethyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate
SMILESC=C(CC(O)COc1cccc2ccccc12)C(=O)OC
InChIInChI=1S/C17H18O4/c1-12(17(19)20-2)10-14(18)11-21-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14,18H,1,10-11H2,2H3
InChIKeyPVHQYVAYNGGRGC-UHFFFAOYSA-N
XLogP2.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate 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

1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
CID 95281049
but-3-en-2-one;3-naphthalen-1-yloxypropane-1,2-diol
CID 21238595
methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
CID 15578577
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
CID 70402211
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
CID 134858225
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate?
The IUPAC name of methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate (CID 174959812) is methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate.
What is the SMILES notation for methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate?
The canonical SMILES for methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate is C=C(CC(O)COc1cccc2ccccc12)C(=O)OC.
What is the InChIKey of methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate?
The InChIKey is PVHQYVAYNGGRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12(17(19)20-2)10-14(18)11-21-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14,18H,1,10-11H2,2H3.
What are the key properties of methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate?
methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate has a molecular weight of 286.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-methylidene-5-naphthalen-1-yloxypentanoate is sourced from PubChem (CID 174959812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).