(2-butylphenyl) (2-methylphenyl) carbonate

C18H20O3 — CID 19107215

IUPAC(2-butylphenyl) (2-methylphenyl) carbonate
SMILESCCCCc1ccccc1OC(=O)Oc1ccccc1C
InChIInChI=1S/C18H20O3/c1-3-4-10-15-11-6-8-13-17(15)21-18(19)20-16-12-7-5-9-14(16)2/h5-9,11-13H,3-4,10H2,1-2H3
InChIKeyQRRRHCNPWBZWDM-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.92
Rot. Bonds5

About (2-butylphenyl) (2-methylphenyl) carbonate

(2-butylphenyl) (2-methylphenyl) carbonate (PubChem CID 19107215) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2-butylphenyl) (2-methylphenyl) carbonate.

Molecular Properties

Compound Name(2-butylphenyl) (2-methylphenyl) carbonate
PubChem CID19107215
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(2-butylphenyl) (2-methylphenyl) carbonate
SMILESCCCCc1ccccc1OC(=O)Oc1ccccc1C
InChIInChI=1S/C18H20O3/c1-3-4-10-15-11-6-8-13-17(15)21-18(19)20-16-12-7-5-9-14(16)2/h5-9,11-13H,3-4,10H2,1-2H3
InChIKeyQRRRHCNPWBZWDM-UHFFFAOYSA-N
XLogP4.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.92
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

(2-methylphenyl) (2-octylphenyl) carbonate
CID 67181635
(2-butylphenyl) (2-ethylphenyl) carbonate
CID 19107219
(2-ethylphenyl) (2-heptylphenyl) carbonate
CID 67179908
bis(2-propylphenyl) carbonate
CID 66781525
bis[2-(3-butoxypropyl)phenyl] carbonate
CID 141468319
(2,3-dimethylphenyl) (2-propylphenyl) carbonate
CID 67179085
ethyl (2-heptylphenyl) carbonate
CID 67181360
methyl 2-(2-butylphenoxy)carbonyloxybenzoate
CID 22994750
(2-butylphenyl) hexyl carbonate
CID 67178148
(2-butylphenyl) 2-phenylethyl carbonate
CID 118690309
octyl (2-pentylphenyl) carbonate
CID 67181173
butyl (2-decylphenyl) carbonate
CID 67182932

Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl) (2-methylphenyl) carbonate?
The IUPAC name of (2-butylphenyl) (2-methylphenyl) carbonate (CID 19107215) is (2-butylphenyl) (2-methylphenyl) carbonate.
What is the SMILES notation for (2-butylphenyl) (2-methylphenyl) carbonate?
The canonical SMILES for (2-butylphenyl) (2-methylphenyl) carbonate is CCCCc1ccccc1OC(=O)Oc1ccccc1C.
What is the InChIKey of (2-butylphenyl) (2-methylphenyl) carbonate?
The InChIKey is QRRRHCNPWBZWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-4-10-15-11-6-8-13-17(15)21-18(19)20-16-12-7-5-9-14(16)2/h5-9,11-13H,3-4,10H2,1-2H3.
What are the key properties of (2-butylphenyl) (2-methylphenyl) carbonate?
(2-butylphenyl) (2-methylphenyl) carbonate has a molecular weight of 284.36 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylphenyl) (2-methylphenyl) carbonate is sourced from PubChem (CID 19107215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).