(5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate

C24H19BrO3 — CID 97104193

IUPAC(5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@@H](C)C(=O)Oc3ccc4c(Br)cccc4c3)ccc2c1
InChIInChI=1S/C24H19BrO3/c1-15(16-6-7-18-13-20(27-2)9-8-17(18)12-16)24(26)28-21-10-11-22-19(14-21)4-3-5-23(22)25/h3-15H,1-2H3/t15-/m1/s1
InChIKeyIEVYZTREZUZVFL-OAHLLOKOSA-N
MW435.32 g/mol
LogP6.47
Rot. Bonds4

About (5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate

(5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 97104193) has the molecular formula C24H19BrO3 and a molecular weight of 435.32 g/mol. Its IUPAC name is (5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name(5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID97104193
Molecular FormulaC24H19BrO3
Molecular Weight435.32 g/mol
Exact Mass434.05
IUPAC Name(5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@@H](C)C(=O)Oc3ccc4c(Br)cccc4c3)ccc2c1
InChIInChI=1S/C24H19BrO3/c1-15(16-6-7-18-13-20(27-2)9-8-17(18)12-16)24(26)28-21-10-11-22-19(14-21)4-3-5-23(22)25/h3-15H,1-2H3/t15-/m1/s1
InChIKeyIEVYZTREZUZVFL-OAHLLOKOSA-N
XLogP6.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.32
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 97104194
(3-phenylmethoxyphenyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102519033
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
[3-[2-(dimethylamino)-1-hydroxy-2-methylcyclohexyl]phenyl] 2-(6-methoxynaphthalen-2-yl)propanoate
CID 69367890
1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 54856242
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
2-nitrooxyethyl 3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxybenzoate
CID 10365904
(3-ethyl-5-hydroxyphenyl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 89034845
[4-[2-(3,5-dihydroxyphenyl)ethyl]phenyl] 2-(6-methoxynaphthalen-2-yl)propanoate
CID 89034844

Frequently Asked Questions

What is the IUPAC name of (5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of (5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 97104193) is (5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for (5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for (5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@@H](C)C(=O)Oc3ccc4c(Br)cccc4c3)ccc2c1.
What is the InChIKey of (5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is IEVYZTREZUZVFL-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H19BrO3/c1-15(16-6-7-18-13-20(27-2)9-8-17(18)12-16)24(26)28-21-10-11-22-19(14-21)4-3-5-23(22)25/h3-15H,1-2H3/t15-/m1/s1.
What are the key properties of (5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
(5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 435.32 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 97104193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).