(2,3-diethyl-4-propylphenyl) hydrogen carbonate

C14H20O3 — CID 67181517

IUPAC(2,3-diethyl-4-propylphenyl) hydrogen carbonate
SMILESCCCc1ccc(OC(=O)O)c(CC)c1CC
InChIInChI=1S/C14H20O3/c1-4-7-10-8-9-13(17-14(15)16)12(6-3)11(10)5-2/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyKSIVNZMXRZLWFM-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.82
Rot. Bonds5

About (2,3-diethyl-4-propylphenyl) hydrogen carbonate

(2,3-diethyl-4-propylphenyl) hydrogen carbonate (PubChem CID 67181517) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2,3-diethyl-4-propylphenyl) hydrogen carbonate.

Molecular Properties

Compound Name(2,3-diethyl-4-propylphenyl) hydrogen carbonate
PubChem CID67181517
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(2,3-diethyl-4-propylphenyl) hydrogen carbonate
SMILESCCCc1ccc(OC(=O)O)c(CC)c1CC
InChIInChI=1S/C14H20O3/c1-4-7-10-8-9-13(17-14(15)16)12(6-3)11(10)5-2/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyKSIVNZMXRZLWFM-UHFFFAOYSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.82
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

(2,3,4-triethyl-5-propylphenyl) hydrogen carbonate
CID 87299833
(4-butyl-3-ethyl-2-hydroxyphenyl) hydrogen carbonate
CID 69498884
(4-ethyl-2,3-diheptylphenyl) hydrogen carbonate
CID 67178892
(2-ethyl-3-methylphenyl) hydrogen carbonate
CID 57357768
[2,3-dibutyl-4-(2,3-dipropylphenyl)phenyl] hydrogen carbonate
CID 67179302
[4-(2,3-dipropylphenyl)-2,3-dipentylphenyl] hydrogen carbonate
CID 67179264
(3-ethyl-2-hydroxy-4-methylphenyl) hydrogen carbonate
CID 69349284
[4-(2,3-dipropylphenyl)-2,3-dihexylphenyl] hydrogen carbonate
CID 67178799
bis[4-(2-cyanoethyl)-2,3-diethylphenyl] propanedioate
CID 67916847
[4-(2-methylphenyl)-2,3-dipropylphenyl] hydrogen carbonate
CID 67180798
(5-butyl-3,4-diethyl-2-hydroxyphenyl) hydrogen carbonate
CID 87876141
(4-butyl-2,3-dimethylphenyl) hydrogen carbonate
CID 67178499

Frequently Asked Questions

What is the IUPAC name of (2,3-diethyl-4-propylphenyl) hydrogen carbonate?
The IUPAC name of (2,3-diethyl-4-propylphenyl) hydrogen carbonate (CID 67181517) is (2,3-diethyl-4-propylphenyl) hydrogen carbonate.
What is the SMILES notation for (2,3-diethyl-4-propylphenyl) hydrogen carbonate?
The canonical SMILES for (2,3-diethyl-4-propylphenyl) hydrogen carbonate is CCCc1ccc(OC(=O)O)c(CC)c1CC.
What is the InChIKey of (2,3-diethyl-4-propylphenyl) hydrogen carbonate?
The InChIKey is KSIVNZMXRZLWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-7-10-8-9-13(17-14(15)16)12(6-3)11(10)5-2/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of (2,3-diethyl-4-propylphenyl) hydrogen carbonate?
(2,3-diethyl-4-propylphenyl) hydrogen carbonate has a molecular weight of 236.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethyl-4-propylphenyl) hydrogen carbonate is sourced from PubChem (CID 67181517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).