(2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid

C16H21NO3 — CID 130431723

IUPAC(2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid
SMILESCOC1CC2(c3ccccc3)CCC1(NC(=O)O)CC2
InChIInChI=1S/C16H21NO3/c1-20-13-11-15(12-5-3-2-4-6-12)7-9-16(13,10-8-15)17-14(18)19/h2-6,13,17H,7-11H2,1H3,(H,18,19)
InChIKeyUFIDEWUEVUKFBU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.92
Rot. Bonds3

About (2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid

(2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid (PubChem CID 130431723) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid.

Molecular Properties

Compound Name(2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid
PubChem CID130431723
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid
SMILESCOC1CC2(c3ccccc3)CCC1(NC(=O)O)CC2
InChIInChI=1S/C16H21NO3/c1-20-13-11-15(12-5-3-2-4-6-12)7-9-16(13,10-8-15)17-14(18)19/h2-6,13,17H,7-11H2,1H3,(H,18,19)
InChIKeyUFIDEWUEVUKFBU-UHFFFAOYSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)carbamic acid
CID 130431703
N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide
CID 59379799
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
4-methoxy-1-phenylcyclohexane-1-carboxylic acid
CID 23294898
tert-butyl N-benzyl-N-[(2S)-4-(4-bromophenyl)-2-methoxy-1-bicyclo[2.2.2]octanyl]carbamate
CID 130450702
(1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid
CID 174462684
methyl 6-methylidene-3-phenyladamantane-1-carboxylate
CID 162754718
2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
CID 110443986
(1-phenylcyclopropyl) N-methylcarbamate
CID 174645561
trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
CID 882276
methyl (1R,2S,4S)-2-hydroxy-4-methyl-4-phenylcyclohexane-1-carboxylate
CID 98169124
methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate
CID 67810005

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid?
The IUPAC name of (2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid (CID 130431723) is (2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid.
What is the SMILES notation for (2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid?
The canonical SMILES for (2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid is COC1CC2(c3ccccc3)CCC1(NC(=O)O)CC2.
What is the InChIKey of (2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid?
The InChIKey is UFIDEWUEVUKFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-20-13-11-15(12-5-3-2-4-6-12)7-9-16(13,10-8-15)17-14(18)19/h2-6,13,17H,7-11H2,1H3,(H,18,19).
What are the key properties of (2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid?
(2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid has a molecular weight of 275.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)carbamic acid is sourced from PubChem (CID 130431723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).