(2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one

C18H18O2 — CID 166607004

IUPAC(2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
SMILESCOc1ccc2cc([C@@H](C)C(=O)C34CC3C4)ccc2c1
InChIInChI=1S/C18H18O2/c1-11(17(19)18-9-15(18)10-18)12-3-4-14-8-16(20-2)6-5-13(14)7-12/h3-8,11,15H,9-10H2,1-2H3/t11-,15?,18?/m1/s1
InChIKeyCRJOCVSHHYDHPS-YSLOOPLJSA-N
MW266.34 g/mol
LogP3.93
Rot. Bonds4

About (2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one

(2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one (PubChem CID 166607004) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
PubChem CID166607004
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
SMILESCOc1ccc2cc([C@@H](C)C(=O)C34CC3C4)ccc2c1
InChIInChI=1S/C18H18O2/c1-11(17(19)18-9-15(18)10-18)12-3-4-14-8-16(20-2)6-5-13(14)7-12/h3-8,11,15H,9-10H2,1-2H3/t11-,15?,18?/m1/s1
InChIKeyCRJOCVSHHYDHPS-YSLOOPLJSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one with MolForge

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Related Compounds

3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
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
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
3,3,3-trideuterio-2-(6-methoxynaphthalen-2-yl)(313C)propanoic acid
CID 46782447
bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
CID 76968825
[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 164936733
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The IUPAC name of (2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one (CID 166607004) is (2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one.
What is the SMILES notation for (2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The canonical SMILES for (2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one is COc1ccc2cc([C@@H](C)C(=O)C34CC3C4)ccc2c1.
What is the InChIKey of (2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The InChIKey is CRJOCVSHHYDHPS-YSLOOPLJSA-N. The full InChI is InChI=1S/C18H18O2/c1-11(17(19)18-9-15(18)10-18)12-3-4-14-8-16(20-2)6-5-13(14)7-12/h3-8,11,15H,9-10H2,1-2H3/t11-,15?,18?/m1/s1.
What are the key properties of (2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one?
(2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-bicyclo[1.1.0]butanyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 166607004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).