(4-ethylphenyl) (4-phenylphenyl) carbonate

C21H18O3 — CID 118690250

IUPAC(4-ethylphenyl) (4-phenylphenyl) carbonate
SMILESCCc1ccc(OC(=O)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H18O3/c1-2-16-8-12-19(13-9-16)23-21(22)24-20-14-10-18(11-15-20)17-6-4-3-5-7-17/h3-15H,2H2,1H3
InChIKeyWZWDEVFPBZMVPN-UHFFFAOYSA-N
MW318.37 g/mol
LogP5.49
Rot. Bonds4

About (4-ethylphenyl) (4-phenylphenyl) carbonate

(4-ethylphenyl) (4-phenylphenyl) carbonate (PubChem CID 118690250) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is (4-ethylphenyl) (4-phenylphenyl) carbonate.

Molecular Properties

Compound Name(4-ethylphenyl) (4-phenylphenyl) carbonate
PubChem CID118690250
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name(4-ethylphenyl) (4-phenylphenyl) carbonate
SMILESCCc1ccc(OC(=O)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H18O3/c1-2-16-8-12-19(13-9-16)23-21(22)24-20-14-10-18(11-15-20)17-6-4-3-5-7-17/h3-15H,2H2,1H3
InChIKeyWZWDEVFPBZMVPN-UHFFFAOYSA-N
XLogP5.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.37
LogP ≤ 55.49
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(4-ethylphenyl) carbonate;carbonic acid
CID 159757999
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310
(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100530411
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
(4-phenylphenyl) 5-methylfuran-2-carboxylate
CID 16552041
phenyl 1-(4-phenylphenyl)propan-2-yl carbonate
CID 10892928
[4-(4-hydroxyphenyl)phenyl] phenyl carbonate
CID 146436469
bis[4-[4-(aminomethyl)phenyl]phenyl] carbonate
CID 140708041
bis[4-(4-dodecylphenyl)phenyl] carbonate
CID 141076515
(4-ethylphenyl) 2,2-diphenylacetate
CID 1226572
phenyl 2-(4-ethylphenoxy)acetate
CID 19178986

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl) (4-phenylphenyl) carbonate?
The IUPAC name of (4-ethylphenyl) (4-phenylphenyl) carbonate (CID 118690250) is (4-ethylphenyl) (4-phenylphenyl) carbonate.
What is the SMILES notation for (4-ethylphenyl) (4-phenylphenyl) carbonate?
The canonical SMILES for (4-ethylphenyl) (4-phenylphenyl) carbonate is CCc1ccc(OC(=O)Oc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (4-ethylphenyl) (4-phenylphenyl) carbonate?
The InChIKey is WZWDEVFPBZMVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-2-16-8-12-19(13-9-16)23-21(22)24-20-14-10-18(11-15-20)17-6-4-3-5-7-17/h3-15H,2H2,1H3.
What are the key properties of (4-ethylphenyl) (4-phenylphenyl) carbonate?
(4-ethylphenyl) (4-phenylphenyl) carbonate has a molecular weight of 318.37 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl) (4-phenylphenyl) carbonate is sourced from PubChem (CID 118690250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).