(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate

C16H16O4 — CID 58021551

IUPAC(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate
SMILESC=CC(=O)OCC(O)COc1ccc2ccccc2c1
InChIInChI=1S/C16H16O4/c1-2-16(18)20-11-14(17)10-19-15-8-7-12-5-3-4-6-13(12)9-15/h2-9,14,17H,1,10-11H2
InChIKeyJRHAELPNGBUIAH-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.31
Rot. Bonds6

About (2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate

(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate (PubChem CID 58021551) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate.

Molecular Properties

Compound Name(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate
PubChem CID58021551
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate
SMILESC=CC(=O)OCC(O)COc1ccc2ccccc2c1
InChIInChI=1S/C16H16O4/c1-2-16(18)20-11-14(17)10-19-15-8-7-12-5-3-4-6-13(12)9-15/h2-9,14,17H,1,10-11H2
InChIKeyJRHAELPNGBUIAH-UHFFFAOYSA-N
XLogP2.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate
CID 118222401
[3-(3,4-dibromophenoxy)-2-hydroxypropyl] prop-2-enoate
CID 101144744
[3-(4-fluorophenoxy)-2-hydroxypropyl] prop-2-enoate
CID 139559416
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
[2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate
CID 59476740
[(2S)-2-hydroxy-3-[4-[9-[4-[(2S)-2-hydroxy-3-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate
CID 98048093
(2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 91047100
[3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate
CID 171607196
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
(2-hydroxy-3-prop-2-enoyloxypropyl) anthracene-9-carboxylate
CID 54261077
[2-hydroxy-3-[4-[[4-(2-hydroxy-3-methoxypropoxy)phenyl]methyl]phenoxy]propyl] prop-2-enoate
CID 118443194

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate?
The IUPAC name of (2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate (CID 58021551) is (2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate.
What is the SMILES notation for (2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate?
The canonical SMILES for (2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate is C=CC(=O)OCC(O)COc1ccc2ccccc2c1.
What is the InChIKey of (2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate?
The InChIKey is JRHAELPNGBUIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-2-16(18)20-11-14(17)10-19-15-8-7-12-5-3-4-6-13(12)9-15/h2-9,14,17H,1,10-11H2.
What are the key properties of (2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate?
(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate has a molecular weight of 272.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate is sourced from PubChem (CID 58021551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).