(2-chloro-6-methylphenyl) hydrogen carbonate

C8H7ClO3 — CID 155766617

IUPAC(2-chloro-6-methylphenyl) hydrogen carbonate
SMILESCc1cccc(Cl)c1OC(=O)O
InChIInChI=1S/C8H7ClO3/c1-5-3-2-4-6(9)7(5)12-8(10)11/h2-4H,1H3,(H,10,11)
InChIKeyYKZXOLMJLBTNBJ-UHFFFAOYSA-N
MW186.59 g/mol
LogP2.71
Rot. Bonds1

About (2-chloro-6-methylphenyl) hydrogen carbonate

(2-chloro-6-methylphenyl) hydrogen carbonate (PubChem CID 155766617) has the molecular formula C8H7ClO3 and a molecular weight of 186.59 g/mol. Its IUPAC name is (2-chloro-6-methylphenyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-chloro-6-methylphenyl) hydrogen carbonate
PubChem CID155766617
Molecular FormulaC8H7ClO3
Molecular Weight186.59 g/mol
Exact Mass186.01
IUPAC Name(2-chloro-6-methylphenyl) hydrogen carbonate
SMILESCc1cccc(Cl)c1OC(=O)O
InChIInChI=1S/C8H7ClO3/c1-5-3-2-4-6(9)7(5)12-8(10)11/h2-4H,1H3,(H,10,11)
InChIKeyYKZXOLMJLBTNBJ-UHFFFAOYSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-methylphenoxy)acetyl chloride
CID 90385043
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
(2-hydroxybenzoyl) 2-carboxyoxy-3-methylbenzoate
CID 88744397
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
(2-chloro-6-methylphenyl) 3-hydroxy-2-phenyl-3-pyridin-3-ylpropanoate
CID 143158192
1-chloro-2-methylbenzene;phenyl acetate
CID 160646986
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
(2,6-dimethylphenyl) 2-chloroacetate
CID 54160838
(2,3-dichloro-6-methylphenyl) acetate
CID 59058146
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylphenyl) hydrogen carbonate?
The IUPAC name of (2-chloro-6-methylphenyl) hydrogen carbonate (CID 155766617) is (2-chloro-6-methylphenyl) hydrogen carbonate.
What is the SMILES notation for (2-chloro-6-methylphenyl) hydrogen carbonate?
The canonical SMILES for (2-chloro-6-methylphenyl) hydrogen carbonate is Cc1cccc(Cl)c1OC(=O)O.
What is the InChIKey of (2-chloro-6-methylphenyl) hydrogen carbonate?
The InChIKey is YKZXOLMJLBTNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3/c1-5-3-2-4-6(9)7(5)12-8(10)11/h2-4H,1H3,(H,10,11).
What are the key properties of (2-chloro-6-methylphenyl) hydrogen carbonate?
(2-chloro-6-methylphenyl) hydrogen carbonate has a molecular weight of 186.59 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylphenyl) hydrogen carbonate is sourced from PubChem (CID 155766617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).