(2,3-dimethylphenyl) (2-propylphenyl) carbonate

C18H20O3 — CID 67179085

IUPAC(2,3-dimethylphenyl) (2-propylphenyl) carbonate
SMILESCCCc1ccccc1OC(=O)Oc1cccc(C)c1C
InChIInChI=1S/C18H20O3/c1-4-8-15-10-5-6-11-17(15)21-18(19)20-16-12-7-9-13(2)14(16)3/h5-7,9-12H,4,8H2,1-3H3
InChIKeyDNXAJVMMWNKGGW-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.83
Rot. Bonds4

About (2,3-dimethylphenyl) (2-propylphenyl) carbonate

(2,3-dimethylphenyl) (2-propylphenyl) carbonate (PubChem CID 67179085) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2,3-dimethylphenyl) (2-propylphenyl) carbonate.

Molecular Properties

Compound Name(2,3-dimethylphenyl) (2-propylphenyl) carbonate
PubChem CID67179085
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(2,3-dimethylphenyl) (2-propylphenyl) carbonate
SMILESCCCc1ccccc1OC(=O)Oc1cccc(C)c1C
InChIInChI=1S/C18H20O3/c1-4-8-15-10-5-6-11-17(15)21-18(19)20-16-12-7-9-13(2)14(16)3/h5-7,9-12H,4,8H2,1-3H3
InChIKeyDNXAJVMMWNKGGW-UHFFFAOYSA-N
XLogP4.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-propylphenyl) carbonate
CID 66781525
bis(2,3-dimethylphenyl) carbonate
CID 23435013
(2-butylphenyl) (2-methylphenyl) carbonate
CID 19107215
1,2-dimethyl-3-(2-propylphenoxy)benzene
CID 173291845
(2-butylphenyl) (2-ethylphenyl) carbonate
CID 19107219
(2-methylphenyl) (2-octylphenyl) carbonate
CID 67181635
(2,3-dimethylphenyl) N-ethylcarbamate
CID 127545689
(2-ethylphenyl) (2-heptylphenyl) carbonate
CID 67179908
hexyl (2-propylphenyl) carbonate
CID 67179757
(2-propylphenyl) 2-methylprop-2-enoate
CID 22709190
bis[2-(3-butoxypropyl)phenyl] carbonate
CID 141468319
ethyl (2-heptylphenyl) carbonate
CID 67181360

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl) (2-propylphenyl) carbonate?
The IUPAC name of (2,3-dimethylphenyl) (2-propylphenyl) carbonate (CID 67179085) is (2,3-dimethylphenyl) (2-propylphenyl) carbonate.
What is the SMILES notation for (2,3-dimethylphenyl) (2-propylphenyl) carbonate?
The canonical SMILES for (2,3-dimethylphenyl) (2-propylphenyl) carbonate is CCCc1ccccc1OC(=O)Oc1cccc(C)c1C.
What is the InChIKey of (2,3-dimethylphenyl) (2-propylphenyl) carbonate?
The InChIKey is DNXAJVMMWNKGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-8-15-10-5-6-11-17(15)21-18(19)20-16-12-7-9-13(2)14(16)3/h5-7,9-12H,4,8H2,1-3H3.
What are the key properties of (2,3-dimethylphenyl) (2-propylphenyl) carbonate?
(2,3-dimethylphenyl) (2-propylphenyl) carbonate has a molecular weight of 284.36 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl) (2-propylphenyl) carbonate is sourced from PubChem (CID 67179085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).