methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate

C15H14O3 — CID 134891901

IUPACmethyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate
SMILESCOC(=O)/C(C)=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C15H14O3/c1-10(15(17)18-2)9-13-12-6-4-3-5-11(12)7-8-14(13)16/h3-9,16H,1-2H3/b10-9+
InChIKeyRKCYOOSRXSUTRM-MDZDMXLPSA-N
MW242.27 g/mol
LogP3.12
Rot. Bonds2

About methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate

methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate (PubChem CID 134891901) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate
PubChem CID134891901
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namemethyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate
SMILESCOC(=O)/C(C)=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C15H14O3/c1-10(15(17)18-2)9-13-12-6-4-3-5-11(12)7-8-14(13)16/h3-9,16H,1-2H3/b10-9+
InChIKeyRKCYOOSRXSUTRM-MDZDMXLPSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate 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

(E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide
CID 142635275
methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate
CID 10315660
propan-2-yl (2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]-3-oxobutanoate
CID 2311731
1-(2,2-dibromoethenyl)naphthalen-2-ol
CID 25096638
(E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one
CID 14509487
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate
CID 135855183
2-cyano-3-(2-hydroxynaphthalen-1-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 1269810
(E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid
CID 170873203
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate?
The IUPAC name of methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate (CID 134891901) is methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate?
The canonical SMILES for methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate is COC(=O)/C(C)=C/c1c(O)ccc2ccccc12.
What is the InChIKey of methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate?
The InChIKey is RKCYOOSRXSUTRM-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H14O3/c1-10(15(17)18-2)9-13-12-6-4-3-5-11(12)7-8-14(13)16/h3-9,16H,1-2H3/b10-9+.
What are the key properties of methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate?
methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate has a molecular weight of 242.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 134891901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).