phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C20H18O3 — CID 129098564

IUPACphenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)Oc3ccccc3)ccc2c1
InChIInChI=1S/C20H18O3/c1-14(20(21)23-18-6-4-3-5-7-18)15-8-9-17-13-19(22-2)11-10-16(17)12-15/h3-14H,1-2H3/t14-/m0/s1
InChIKeyXVLIPSQRKZVECE-AWEZNQCLSA-N
MW306.36 g/mol
LogP4.56
Rot. Bonds4

About phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 129098564) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namephenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID129098564
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Namephenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)Oc3ccccc3)ccc2c1
InChIInChI=1S/C20H18O3/c1-14(20(21)23-18-6-4-3-5-7-18)15-8-9-17-13-19(22-2)11-10-16(17)12-15/h3-14H,1-2H3/t14-/m0/s1
InChIKeyXVLIPSQRKZVECE-AWEZNQCLSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenyl (2S)-2-(6-methoxynaphthalen-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

(3-phenylmethoxyphenyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102519033
naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 97104194
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
[4-[2-(3,5-dihydroxyphenyl)ethyl]phenyl] 2-(6-methoxynaphthalen-2-yl)propanoate
CID 89034844
(5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 97104193
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
phenyl (2R)-2-(3,4-dimethylphenyl)propanoate
CID 141470934

Frequently Asked Questions

What is the IUPAC name of phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 129098564) is phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)Oc3ccccc3)ccc2c1.
What is the InChIKey of phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is XVLIPSQRKZVECE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18O3/c1-14(20(21)23-18-6-4-3-5-7-18)15-8-9-17-13-19(22-2)11-10-16(17)12-15/h3-14H,1-2H3/t14-/m0/s1.
What are the key properties of phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 306.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 129098564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).