(3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate

C22H22O4 — CID 89034845

IUPAC(3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCc1cc(O)cc(OC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C22H22O4/c1-4-15-9-19(23)13-21(10-15)26-22(24)14(2)16-5-6-18-12-20(25-3)8-7-17(18)11-16/h5-14,23H,4H2,1-3H3/t14-/m1/s1
InChIKeyHTCPAHRMUNJZLP-CQSZACIVSA-N
MW350.41 g/mol
LogP4.83
Rot. Bonds5

About (3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate

(3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 89034845) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is (3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name(3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID89034845
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name(3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCc1cc(O)cc(OC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C22H22O4/c1-4-15-9-19(23)13-21(10-15)26-22(24)14(2)16-5-6-18-12-20(25-3)8-7-17(18)11-16/h5-14,23H,4H2,1-3H3/t14-/m1/s1
InChIKeyHTCPAHRMUNJZLP-CQSZACIVSA-N
XLogP4.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(3,5-dihydroxyphenyl)ethyl]phenyl] 2-(6-methoxynaphthalen-2-yl)propanoate
CID 89034844
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
1,1-diethoxyethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 141165174
(3-phenylmethoxyphenyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102519033
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl] 4-methoxybenzoate
CID 88878304
[(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 18638382
naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 97104194

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of (3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 89034845) is (3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for (3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for (3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate is CCc1cc(O)cc(OC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1.
What is the InChIKey of (3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is HTCPAHRMUNJZLP-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22O4/c1-4-15-9-19(23)13-21(10-15)26-22(24)14(2)16-5-6-18-12-20(25-3)8-7-17(18)11-16/h5-14,23H,4H2,1-3H3/t14-/m1/s1.
What are the key properties of (3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
(3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 350.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 89034845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).