methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate

C19H22O2 — CID 23346484

IUPACmethyl 2-(4-cyclohexylnaphthalen-1-yl)acetate
SMILESCOC(=O)Cc1ccc(C2CCCCC2)c2ccccc12
InChIInChI=1S/C19H22O2/c1-21-19(20)13-15-11-12-17(14-7-3-2-4-8-14)18-10-6-5-9-16(15)18/h5-6,9-12,14H,2-4,7-8,13H2,1H3
InChIKeySVFOJXRPMGGTDH-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.60
Rot. Bonds3

About methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate

methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate (PubChem CID 23346484) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-cyclohexylnaphthalen-1-yl)acetate
PubChem CID23346484
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Namemethyl 2-(4-cyclohexylnaphthalen-1-yl)acetate
SMILESCOC(=O)Cc1ccc(C2CCCCC2)c2ccccc12
InChIInChI=1S/C19H22O2/c1-21-19(20)13-15-11-12-17(14-7-3-2-4-8-14)18-10-6-5-9-16(15)18/h5-6,9-12,14H,2-4,7-8,13H2,1H3
InChIKeySVFOJXRPMGGTDH-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Naphthaleneacetic Acid
CID 6862
Dehydroabietic Acid
CID 94391
alpha-Naphthaleneacetic acid, ethyl ester
CID 62428
Vedaprofen
CID 72158
2-Naphthaleneacetic acid
CID 11393
Methyl 1-naphthylacetate
CID 17891
Bromoenol Lactone
CID 5940264
Methyl Dehydroabietate
CID 14697
Potassium 1-naphthaleneacetate
CID 23700091
Flurbiprofen Methyl Ester
CID 4127
1-Pyrenebutanoic acid
CID 76977
Sodium 1-naphthaleneacetate
CID 23694671

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate?
The IUPAC name of methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate (CID 23346484) is methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate?
The canonical SMILES for methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate is COC(=O)Cc1ccc(C2CCCCC2)c2ccccc12.
What is the InChIKey of methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate?
The InChIKey is SVFOJXRPMGGTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-21-19(20)13-15-11-12-17(14-7-3-2-4-8-14)18-10-6-5-9-16(15)18/h5-6,9-12,14H,2-4,7-8,13H2,1H3.
What are the key properties of methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate?
methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate has a molecular weight of 282.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate is sourced from PubChem (CID 23346484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).