(2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid

C20H22O6 — CID 174738503

IUPAC(2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)OC(Oc1cccc2ccccc12)C(C)O
InChIInChI=1S/C16H16O4.C4H6O2/c1-3-15(18)20-16(11(2)17)19-14-10-6-8-12-7-4-5-9-13(12)14;1-3(2)4(5)6/h3-11,16-17H,1H2,2H3;1H2,2H3,(H,5,6)
InChIKeyPKZIBEHKMBWIMB-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.30
Rot. Bonds6

About (2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid

(2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 174738503) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid
PubChem CID174738503
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name(2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)OC(Oc1cccc2ccccc12)C(C)O
InChIInChI=1S/C16H16O4.C4H6O2/c1-3-15(18)20-16(11(2)17)19-14-10-6-8-12-7-4-5-9-13(12)14;1-3(2)4(5)6/h3-11,16-17H,1H2,2H3;1H2,2H3,(H,5,6)
InChIKeyPKZIBEHKMBWIMB-UHFFFAOYSA-N
XLogP3.30
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-naphthalen-1-yloxybutyl prop-2-enoate
CID 70262024
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
naphthalen-1-yl prop-2-enoate
CID 10192638
but-3-en-2-one;3-naphthalen-1-yloxypropane-1,2-diol
CID 21238595
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356
1-(2-acetyloxyphenyl)ethyl prop-2-enoate
CID 175062364
4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
CID 70402211
1-(2-hydroxyphenoxy)ethyl prop-2-enoate
CID 18934210
2-naphthalen-1-yloxypropan-1-ol
CID 13259427
2-(1-prop-2-enoyloxyethoxy)benzoic acid
CID 18934237

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid?
The IUPAC name of (2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid (CID 174738503) is (2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for (2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for (2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=CC(=O)OC(Oc1cccc2ccccc12)C(C)O.
What is the InChIKey of (2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is PKZIBEHKMBWIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4.C4H6O2/c1-3-15(18)20-16(11(2)17)19-14-10-6-8-12-7-4-5-9-13(12)14;1-3(2)4(5)6/h3-11,16-17H,1H2,2H3;1H2,2H3,(H,5,6).
What are the key properties of (2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid?
(2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 358.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1-naphthalen-1-yloxypropyl) prop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 174738503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).