hexyl (2-phenylphenyl) carbonate

C19H22O3 — CID 67180373

IUPAChexyl (2-phenylphenyl) carbonate
SMILESCCCCCCOC(=O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C19H22O3/c1-2-3-4-10-15-21-19(20)22-18-14-9-8-13-17(18)16-11-6-5-7-12-16/h5-9,11-14H,2-4,10,15H2,1H3
InChIKeyRJJHXAHHHYXAPN-UHFFFAOYSA-N
MW298.38 g/mol
LogP5.45
Rot. Bonds7

About hexyl (2-phenylphenyl) carbonate

hexyl (2-phenylphenyl) carbonate (PubChem CID 67180373) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is hexyl (2-phenylphenyl) carbonate.

Molecular Properties

Compound Namehexyl (2-phenylphenyl) carbonate
PubChem CID67180373
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Namehexyl (2-phenylphenyl) carbonate
SMILESCCCCCCOC(=O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C19H22O3/c1-2-3-4-10-15-21-19(20)22-18-14-9-8-13-17(18)16-11-6-5-7-12-16/h5-9,11-14H,2-4,10,15H2,1H3
InChIKeyRJJHXAHHHYXAPN-UHFFFAOYSA-N
XLogP5.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexyl (2-phenylphenyl) carbonate;plutonium;dicarbonate
CID 174935978
(2,6-diphenylphenyl) hexyl carbonate
CID 121296956
6-(2-phenylphenoxy)carbonyloxyhexyl 2-methylprop-2-enoate
CID 171768489
1-O-pentyl 10-O-(2-phenylphenyl) decanedioate
CID 91725688
1-O-octyl 10-O-(2-phenylphenyl) decanedioate
CID 91725692
4-O-(2-phenylphenyl) 1-O-undecyl (E)-but-2-enedioate
CID 91725429
1-O-nonyl 2-O-(2-phenylphenyl) cyclohexane-1,2-dicarboxylate
CID 91722359
[2-[(2-octoxycarbonyloxyphenyl)methyl]phenyl] octyl carbonate
CID 150788215
(2-aminophenyl) pentyl carbonate
CID 139745164
octyl (2-pentylphenyl) carbonate
CID 67181173
(2-butylphenyl) hexyl carbonate
CID 67178148
hexyl (2-propylphenyl) carbonate
CID 67179757

Frequently Asked Questions

What is the IUPAC name of hexyl (2-phenylphenyl) carbonate?
The IUPAC name of hexyl (2-phenylphenyl) carbonate (CID 67180373) is hexyl (2-phenylphenyl) carbonate.
What is the SMILES notation for hexyl (2-phenylphenyl) carbonate?
The canonical SMILES for hexyl (2-phenylphenyl) carbonate is CCCCCCOC(=O)Oc1ccccc1-c1ccccc1.
What is the InChIKey of hexyl (2-phenylphenyl) carbonate?
The InChIKey is RJJHXAHHHYXAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-2-3-4-10-15-21-19(20)22-18-14-9-8-13-17(18)16-11-6-5-7-12-16/h5-9,11-14H,2-4,10,15H2,1H3.
What are the key properties of hexyl (2-phenylphenyl) carbonate?
hexyl (2-phenylphenyl) carbonate has a molecular weight of 298.38 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl (2-phenylphenyl) carbonate is sourced from PubChem (CID 67180373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).