carbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol

C13H21NO4 — CID 174948352

IUPACcarbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol
SMILESCc1ccc(CCO)c(C)c1CCO.NC(=O)O
InChIInChI=1S/C12H18O2.CH3NO2/c1-9-3-4-11(5-7-13)10(2)12(9)6-8-14;2-1(3)4/h3-4,13-14H,5-8H2,1-2H3;2H2,(H,3,4)
InChIKeyPYDNPILCLVZVLV-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.00
Rot. Bonds4

About carbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol

carbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol (PubChem CID 174948352) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is carbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol.

Molecular Properties

Compound Namecarbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol
PubChem CID174948352
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Namecarbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol
SMILESCc1ccc(CCO)c(C)c1CCO.NC(=O)O
InChIInChI=1S/C12H18O2.CH3NO2/c1-9-3-4-11(5-7-13)10(2)12(9)6-8-14;2-1(3)4/h3-4,13-14H,5-8H2,1-2H3;2H2,(H,3,4)
InChIKeyPYDNPILCLVZVLV-UHFFFAOYSA-N
XLogP1.00
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol?
The IUPAC name of carbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol (CID 174948352) is carbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol.
What is the SMILES notation for carbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol?
The canonical SMILES for carbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol is Cc1ccc(CCO)c(C)c1CCO.NC(=O)O.
What is the InChIKey of carbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol?
The InChIKey is PYDNPILCLVZVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.CH3NO2/c1-9-3-4-11(5-7-13)10(2)12(9)6-8-14;2-1(3)4/h3-4,13-14H,5-8H2,1-2H3;2H2,(H,3,4).
What are the key properties of carbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol?
carbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol has a molecular weight of 255.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;2-[3-(2-hydroxyethyl)-2,4-dimethylphenyl]ethanol is sourced from PubChem (CID 174948352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).