(2-methyl-5-propan-2-ylphenyl) hydrogen carbonate

C11H14O3 — CID 165362768

IUPAC(2-methyl-5-propan-2-ylphenyl) hydrogen carbonate
SMILESCc1ccc(C(C)C)cc1OC(=O)O
InChIInChI=1S/C11H14O3/c1-7(2)9-5-4-8(3)10(6-9)14-11(12)13/h4-7H,1-3H3,(H,12,13)
InChIKeyUFIGTONLJQWIFR-UHFFFAOYSA-N
MW194.23 g/mol
LogP3.18
Rot. Bonds2

About (2-methyl-5-propan-2-ylphenyl) hydrogen carbonate

(2-methyl-5-propan-2-ylphenyl) hydrogen carbonate (PubChem CID 165362768) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2-methyl-5-propan-2-ylphenyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-methyl-5-propan-2-ylphenyl) hydrogen carbonate
PubChem CID165362768
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2-methyl-5-propan-2-ylphenyl) hydrogen carbonate
SMILESCc1ccc(C(C)C)cc1OC(=O)O
InChIInChI=1S/C11H14O3/c1-7(2)9-5-4-8(3)10(6-9)14-11(12)13/h4-7H,1-3H3,(H,12,13)
InChIKeyUFIGTONLJQWIFR-UHFFFAOYSA-N
XLogP3.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 53.18
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-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride
CID 140833472
(2-methyl-5-propan-2-ylphenyl) 4-chlorobenzoate
CID 836524
ethyl-dimethyl-[2-(2-methyl-5-propan-2-ylphenoxy)-2-oxoethyl]azanium
CID 163265203
(2-methyl-5-propan-2-ylphenyl) (3R)-3,4-diphenylbutanoate
CID 141338319
1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 104529321
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 47115044
2-methyl-4-propan-2-ylbenzoic acid
CID 22444417
(2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate
CID 134150498
[2-(2-methyl-5-propan-2-ylphenoxy)-2-oxoethyl] 3,5-dihydroxybenzoate
CID 177377379
3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
CID 60623601
(2-methyl-5-propan-2-ylphenyl) 3-(3,4,5-trimethoxyphenyl)propanoate
CID 68873086
1-[(2-methyl-5-propan-2-ylphenoxy)carbonylamino]ethyl prop-2-enoate
CID 89069181

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-propan-2-ylphenyl) hydrogen carbonate?
The IUPAC name of (2-methyl-5-propan-2-ylphenyl) hydrogen carbonate (CID 165362768) is (2-methyl-5-propan-2-ylphenyl) hydrogen carbonate.
What is the SMILES notation for (2-methyl-5-propan-2-ylphenyl) hydrogen carbonate?
The canonical SMILES for (2-methyl-5-propan-2-ylphenyl) hydrogen carbonate is Cc1ccc(C(C)C)cc1OC(=O)O.
What is the InChIKey of (2-methyl-5-propan-2-ylphenyl) hydrogen carbonate?
The InChIKey is UFIGTONLJQWIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7(2)9-5-4-8(3)10(6-9)14-11(12)13/h4-7H,1-3H3,(H,12,13).
What are the key properties of (2-methyl-5-propan-2-ylphenyl) hydrogen carbonate?
(2-methyl-5-propan-2-ylphenyl) hydrogen carbonate has a molecular weight of 194.23 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-propan-2-ylphenyl) hydrogen carbonate is sourced from PubChem (CID 165362768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).