methylcarbamic acid;3-pentan-2-ylphenol

C13H21NO3 — CID 174607568

IUPACmethylcarbamic acid;3-pentan-2-ylphenol
SMILESCCCC(C)c1cccc(O)c1.CNC(=O)O
InChIInChI=1S/C11H16O.C2H5NO2/c1-3-5-9(2)10-6-4-7-11(12)8-10;1-3-2(4)5/h4,6-9,12H,3,5H2,1-2H3;3H,1H3,(H,4,5)
InChIKeyYPTCZEAYWSTRFJ-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.18
Rot. Bonds3

About methylcarbamic acid;3-pentan-2-ylphenol

methylcarbamic acid;3-pentan-2-ylphenol (PubChem CID 174607568) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methylcarbamic acid;3-pentan-2-ylphenol.

Molecular Properties

Compound Namemethylcarbamic acid;3-pentan-2-ylphenol
PubChem CID174607568
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethylcarbamic acid;3-pentan-2-ylphenol
SMILESCCCC(C)c1cccc(O)c1.CNC(=O)O
InChIInChI=1S/C11H16O.C2H5NO2/c1-3-5-9(2)10-6-4-7-11(12)8-10;1-3-2(4)5/h4,6-9,12H,3,5H2,1-2H3;3H,1H3,(H,4,5)
InChIKeyYPTCZEAYWSTRFJ-UHFFFAOYSA-N
XLogP3.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-pentadecan-2-ylphenol
CID 57199867
methyl-(3-pentan-2-ylphenyl)carbamic acid
CID 57234831
ethyl 3-(3-hydroxyphenyl)-2-methylbutanoate
CID 71083668
(3S)-3-(3-hydroxyphenyl)-2-methylheptanoic acid
CID 67428563
3-(3-hydroxyphenyl)-2-methylheptanoic acid
CID 77290397
pentan-2-ylbenzene
CID 17627
3-[1-(2-methylpentylamino)ethyl]phenol
CID 43748423
2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide
CID 82985774
3-[1-(dimethylamino)-2-methylpentyl]phenol
CID 123306996
2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
CID 117243248
[(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid
CID 66857029
3-(3-hydroxyphenyl)butanenitrile
CID 77440133

Frequently Asked Questions

What is the IUPAC name of methylcarbamic acid;3-pentan-2-ylphenol?
The IUPAC name of methylcarbamic acid;3-pentan-2-ylphenol (CID 174607568) is methylcarbamic acid;3-pentan-2-ylphenol.
What is the SMILES notation for methylcarbamic acid;3-pentan-2-ylphenol?
The canonical SMILES for methylcarbamic acid;3-pentan-2-ylphenol is CCCC(C)c1cccc(O)c1.CNC(=O)O.
What is the InChIKey of methylcarbamic acid;3-pentan-2-ylphenol?
The InChIKey is YPTCZEAYWSTRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C2H5NO2/c1-3-5-9(2)10-6-4-7-11(12)8-10;1-3-2(4)5/h4,6-9,12H,3,5H2,1-2H3;3H,1H3,(H,4,5).
What are the key properties of methylcarbamic acid;3-pentan-2-ylphenol?
methylcarbamic acid;3-pentan-2-ylphenol has a molecular weight of 239.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylcarbamic acid;3-pentan-2-ylphenol is sourced from PubChem (CID 174607568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).