1-naphthalen-1-yloxybutyl prop-2-enoate

C17H18O3 — CID 70262024

IUPAC1-naphthalen-1-yloxybutyl prop-2-enoate
SMILESC=CC(=O)OC(CCC)Oc1cccc2ccccc12
InChIInChI=1S/C17H18O3/c1-3-8-17(20-16(18)4-2)19-15-12-7-10-13-9-5-6-11-14(13)15/h4-7,9-12,17H,2-3,8H2,1H3
InChIKeyFJISGCPJAWFYRI-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.07
Rot. Bonds6

About 1-naphthalen-1-yloxybutyl prop-2-enoate

1-naphthalen-1-yloxybutyl prop-2-enoate (PubChem CID 70262024) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-naphthalen-1-yloxybutyl prop-2-enoate.

Molecular Properties

Compound Name1-naphthalen-1-yloxybutyl prop-2-enoate
PubChem CID70262024
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-naphthalen-1-yloxybutyl prop-2-enoate
SMILESC=CC(=O)OC(CCC)Oc1cccc2ccccc12
InChIInChI=1S/C17H18O3/c1-3-8-17(20-16(18)4-2)19-15-12-7-10-13-9-5-6-11-14(13)15/h4-7,9-12,17H,2-3,8H2,1H3
InChIKeyFJISGCPJAWFYRI-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

naphthalen-1-yl prop-2-enoate
CID 10192638
(2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid
CID 174738503
1-(4-acetylphenoxy)butyl prop-2-enoate
CID 59237709
1-[4-[4-[4-(1-prop-2-enoyloxybutoxy)phenyl]buta-1,3-diynyl]phenoxy]butyl prop-2-enoate
CID 89053451
4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
CID 70402211
(1-ethoxy-3-phenylpropyl) prop-2-enoate
CID 118662658
but-3-en-2-one;3-naphthalen-1-yloxypropane-1,2-diol
CID 21238595
[3-[3-methoxy-5-[3-(2-methylprop-2-enoyloxy)-3-naphthalen-1-yloxypropoxy]phenoxy]-1-naphthalen-1-yloxypropyl] 2-methylprop-2-enoate
CID 141224397
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356
(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
4-methylpenta-2,3-dien-2-yl prop-2-enoate;1-pentoxynaphthalene
CID 174693392
1-(2-hydroxyphenoxy)ethyl prop-2-enoate
CID 18934210

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yloxybutyl prop-2-enoate?
The IUPAC name of 1-naphthalen-1-yloxybutyl prop-2-enoate (CID 70262024) is 1-naphthalen-1-yloxybutyl prop-2-enoate.
What is the SMILES notation for 1-naphthalen-1-yloxybutyl prop-2-enoate?
The canonical SMILES for 1-naphthalen-1-yloxybutyl prop-2-enoate is C=CC(=O)OC(CCC)Oc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yloxybutyl prop-2-enoate?
The InChIKey is FJISGCPJAWFYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-8-17(20-16(18)4-2)19-15-12-7-10-13-9-5-6-11-14(13)15/h4-7,9-12,17H,2-3,8H2,1H3.
What are the key properties of 1-naphthalen-1-yloxybutyl prop-2-enoate?
1-naphthalen-1-yloxybutyl prop-2-enoate has a molecular weight of 270.33 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yloxybutyl prop-2-enoate is sourced from PubChem (CID 70262024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).