ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate

C20H26O4 — CID 93483561

IUPACethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
SMILESCCOC(=O)C(C)(C)[C@@](O)(CC)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H26O4/c1-6-20(22,19(3,4)18(21)24-7-2)16-10-8-15-13-17(23-5)11-9-14(15)12-16/h8-13,22H,6-7H2,1-5H3/t20-/m1/s1
InChIKeyBGPCDCAZLBBOTJ-HXUWFJFHSA-N
MW330.42 g/mol
LogP4.04
Rot. Bonds6

About ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate

ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate (PubChem CID 93483561) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate.

Molecular Properties

Compound Nameethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
PubChem CID93483561
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Nameethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
SMILESCCOC(=O)C(C)(C)[C@@](O)(CC)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H26O4/c1-6-20(22,19(3,4)18(21)24-7-2)16-10-8-15-13-17(23-5)11-9-14(15)12-16/h8-13,22H,6-7H2,1-5H3/t20-/m1/s1
InChIKeyBGPCDCAZLBBOTJ-HXUWFJFHSA-N
XLogP4.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-2-(6-methoxynaphthalen-2-yl)-2-methyl-3-oxopropanoic acid
CID 101052171
ethyl (3R)-3-hydroxy-2,2-dimethyl-3-phenylpentanoate
CID 13010841
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
ethyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)butanoate
CID 10945637
ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62397793
ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate
CID 121000481
diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate
CID 67694991
ethyl 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
CID 21354872
ethyl 2-ethylsulfanyl-2-(4-methoxyphenyl)propanoate
CID 13070543
3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 65234037
diethyl 2-acetyloxy-2-(4-methoxyphenyl)propanedioate
CID 14066104
ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate
CID 46220012

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate?
The IUPAC name of ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate (CID 93483561) is ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate.
What is the SMILES notation for ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate?
The canonical SMILES for ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate is CCOC(=O)C(C)(C)[C@@](O)(CC)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate?
The InChIKey is BGPCDCAZLBBOTJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26O4/c1-6-20(22,19(3,4)18(21)24-7-2)16-10-8-15-13-17(23-5)11-9-14(15)12-16/h8-13,22H,6-7H2,1-5H3/t20-/m1/s1.
What are the key properties of ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate?
ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate has a molecular weight of 330.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate is sourced from PubChem (CID 93483561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).