ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate

C17H24O3 — CID 57318910

IUPACethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate
SMILESCCOC(=O)CCc1ccc2c(c1)C(C)(CO)CCC2
InChIInChI=1S/C17H24O3/c1-3-20-16(19)9-7-13-6-8-14-5-4-10-17(2,12-18)15(14)11-13/h6,8,11,18H,3-5,7,9-10,12H2,1-2H3
InChIKeyRCRRXTMWFHZWGX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.77
Rot. Bonds5

About ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate

ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate (PubChem CID 57318910) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate
PubChem CID57318910
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Nameethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate
SMILESCCOC(=O)CCc1ccc2c(c1)C(C)(CO)CCC2
InChIInChI=1S/C17H24O3/c1-3-20-16(19)9-7-13-6-8-14-5-4-10-17(2,12-18)15(14)11-13/h6,8,11,18H,3-5,7,9-10,12H2,1-2H3
InChIKeyRCRRXTMWFHZWGX-UHFFFAOYSA-N
XLogP2.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate 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

ethyl 3-(8-formyl-8-methyl-6,7-dihydro-5H-naphthalen-2-yl)propanoate
CID 57209384
ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 23003903
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
7-(3-ethoxy-3-oxopropyl)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 175475593
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 174154255
1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 21491277
2-[2-(difluoromethyl)-5-(3-ethoxy-3-oxopropyl)phenyl]acetic acid
CID 118843149
ethyl 3-(4-amino-3-ethynylphenyl)propanoate
CID 142738602
1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid;hydrochloride
CID 70632149
ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 57146036
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate?
The IUPAC name of ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate (CID 57318910) is ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate?
The canonical SMILES for ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate is CCOC(=O)CCc1ccc2c(c1)C(C)(CO)CCC2.
What is the InChIKey of ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate?
The InChIKey is RCRRXTMWFHZWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-20-16(19)9-7-13-6-8-14-5-4-10-17(2,12-18)15(14)11-13/h6,8,11,18H,3-5,7,9-10,12H2,1-2H3.
What are the key properties of ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate?
ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate has a molecular weight of 276.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate is sourced from PubChem (CID 57318910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).