(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol

C16H18ClNO3 — CID 21114999

IUPAC(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol
SMILESCNC(=O)Oc1cc(C)c(C)cc1Cl.Oc1ccccc1
InChIInChI=1S/C10H12ClNO2.C6H6O/c1-6-4-8(11)9(5-7(6)2)14-10(13)12-3;7-6-4-2-1-3-5-6/h4-5H,1-3H3,(H,12,13);1-5,7H
InChIKeyHDVXRXMXPBWPDN-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.07
Rot. Bonds1

About (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol

(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol (PubChem CID 21114999) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol
PubChem CID21114999
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol
SMILESCNC(=O)Oc1cc(C)c(C)cc1Cl.Oc1ccccc1
InChIInChI=1S/C10H12ClNO2.C6H6O/c1-6-4-8(11)9(5-7(6)2)14-10(13)12-3;7-6-4-2-1-3-5-6/h4-5H,1-3H3,(H,12,13);1-5,7H
InChIKeyHDVXRXMXPBWPDN-UHFFFAOYSA-N
XLogP4.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;hydrochloride
CID 172729732
(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
CID 141106897
phenol;1,2,4,5-tetramethylbenzene
CID 158089853
[2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride
CID 138400916
ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate
CID 3368957
[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate
CID 122646293
(2-bromo-3,4-dimethylphenyl) N-methylcarbamate
CID 154109694
methyl hydrogen carbonate;phenol
CID 126664263
(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
CID 25549
benzene;4-chloro-3,5-dimethylphenol;phenol
CID 174934171
bis(N-methylmethanamine);phenol
CID 159670069
[4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate
CID 139798240

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol?
The IUPAC name of (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol (CID 21114999) is (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol is CNC(=O)Oc1cc(C)c(C)cc1Cl.Oc1ccccc1.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol?
The InChIKey is HDVXRXMXPBWPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2.C6H6O/c1-6-4-8(11)9(5-7(6)2)14-10(13)12-3;7-6-4-2-1-3-5-6/h4-5H,1-3H3,(H,12,13);1-5,7H.
What are the key properties of (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol?
(2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol has a molecular weight of 307.78 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl) N-methylcarbamate;phenol is sourced from PubChem (CID 21114999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).