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

C14H13ClO3 — CID 90693422

IUPACchloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCl)ccc2c1
InChIInChI=1S/C14H13ClO3/c1-9(14(16)18-15)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3/t9-/m0/s1
InChIKeyVBVCPUYGXZJEAP-VIFPVBQESA-N
MW264.71 g/mol
LogP3.65
Rot. Bonds3

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

chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 90693422) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namechloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID90693422
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Namechloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCl)ccc2c1
InChIInChI=1S/C14H13ClO3/c1-9(14(16)18-15)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3/t9-/m0/s1
InChIKeyVBVCPUYGXZJEAP-VIFPVBQESA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 500306
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl] 4-methoxybenzoate
CID 88878304
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871

Frequently Asked Questions

What is the IUPAC name of chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 90693422) is chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OCl)ccc2c1.
What is the InChIKey of chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is VBVCPUYGXZJEAP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13ClO3/c1-9(14(16)18-15)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3/t9-/m0/s1.
What are the key properties of chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 264.71 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 90693422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).