[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate

C20H16Cl2O3 — CID 14895430

IUPAC[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate
SMILESCOc1ccc2cc([C@@H](C)OC(=O)c3cc(Cl)cc(Cl)c3)ccc2c1
InChIInChI=1S/C20H16Cl2O3/c1-12(25-20(23)16-8-17(21)11-18(22)9-16)13-3-4-15-10-19(24-2)6-5-14(15)7-13/h3-12H,1-2H3/t12-/m1/s1
InChIKeyKOMBVZATZGRILN-GFCCVEGCSA-N
MW375.25 g/mol
LogP6.07
Rot. Bonds4

About [(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate

[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate (PubChem CID 14895430) has the molecular formula C20H16Cl2O3 and a molecular weight of 375.25 g/mol. Its IUPAC name is [(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate.

Molecular Properties

Compound Name[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate
PubChem CID14895430
Molecular FormulaC20H16Cl2O3
Molecular Weight375.25 g/mol
Exact Mass374.05
IUPAC Name[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate
SMILESCOc1ccc2cc([C@@H](C)OC(=O)c3cc(Cl)cc(Cl)c3)ccc2c1
InChIInChI=1S/C20H16Cl2O3/c1-12(25-20(23)16-8-17(21)11-18(22)9-16)13-3-4-15-10-19(24-2)6-5-14(15)7-13/h3-12H,1-2H3/t12-/m1/s1
InChIKeyKOMBVZATZGRILN-GFCCVEGCSA-N
XLogP6.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.25
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 7724269
[(1S)-1-naphthalen-2-ylethyl] benzoate
CID 10683869
propan-2-yl 3,5-dichlorobenzoate
CID 60642653
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl] 4-methoxybenzoate
CID 88878304
(4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate
CID 17160934
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
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
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate?
The IUPAC name of [(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate (CID 14895430) is [(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate.
What is the SMILES notation for [(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate?
The canonical SMILES for [(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate is COc1ccc2cc([C@@H](C)OC(=O)c3cc(Cl)cc(Cl)c3)ccc2c1.
What is the InChIKey of [(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate?
The InChIKey is KOMBVZATZGRILN-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H16Cl2O3/c1-12(25-20(23)16-8-17(21)11-18(22)9-16)13-3-4-15-10-19(24-2)6-5-14(15)7-13/h3-12H,1-2H3/t12-/m1/s1.
What are the key properties of [(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate?
[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate has a molecular weight of 375.25 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate is sourced from PubChem (CID 14895430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).