methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate

C15H18O3 — CID 177236476

IUPACmethyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate
SMILESC=C(COc1cccc2c1CCCC2)C(=O)OC
InChIInChI=1S/C15H18O3/c1-11(15(16)17-2)10-18-14-9-5-7-12-6-3-4-8-13(12)14/h5,7,9H,1,3-4,6,8,10H2,2H3
InChIKeyHBHNGUPBQWITBL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.67
Rot. Bonds4

About methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate

methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate (PubChem CID 177236476) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate
PubChem CID177236476
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Namemethyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate
SMILESC=C(COc1cccc2c1CCCC2)C(=O)OC
InChIInChI=1S/C15H18O3/c1-11(15(16)17-2)10-18-14-9-5-7-12-6-3-4-8-13(12)14/h5,7,9H,1,3-4,6,8,10H2,2H3
InChIKeyHBHNGUPBQWITBL-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-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

N-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100747328
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
CID 144530231
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
CID 116820516
N-(2-methoxy-5-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100765455
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
CID 39349304
N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100721805
N-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 133256716
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100723383
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133220383
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100569732
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 133199402
N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100681308

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate?
The IUPAC name of methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate (CID 177236476) is methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate?
The canonical SMILES for methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate is C=C(COc1cccc2c1CCCC2)C(=O)OC.
What is the InChIKey of methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate?
The InChIKey is HBHNGUPBQWITBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-11(15(16)17-2)10-18-14-9-5-7-12-6-3-4-8-13(12)14/h5,7,9H,1,3-4,6,8,10H2,2H3.
What are the key properties of methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate?
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate has a molecular weight of 246.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate is sourced from PubChem (CID 177236476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).