(4-pentylphenyl) 5-phenylpentyl carbonate

C23H30O3 — CID 118690324

IUPAC(4-pentylphenyl) 5-phenylpentyl carbonate
SMILESCCCCCc1ccc(OC(=O)OCCCCCc2ccccc2)cc1
InChIInChI=1S/C23H30O3/c1-2-3-6-11-21-15-17-22(18-16-21)26-23(24)25-19-10-5-9-14-20-12-7-4-8-13-20/h4,7-8,12-13,15-18H,2-3,5-6,9-11,14,19H2,1H3
InChIKeyWGXLWZCSGWLQMU-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.35
Rot. Bonds11

About (4-pentylphenyl) 5-phenylpentyl carbonate

(4-pentylphenyl) 5-phenylpentyl carbonate (PubChem CID 118690324) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is (4-pentylphenyl) 5-phenylpentyl carbonate.

Molecular Properties

Compound Name(4-pentylphenyl) 5-phenylpentyl carbonate
PubChem CID118690324
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name(4-pentylphenyl) 5-phenylpentyl carbonate
SMILESCCCCCc1ccc(OC(=O)OCCCCCc2ccccc2)cc1
InChIInChI=1S/C23H30O3/c1-2-3-6-11-21-15-17-22(18-16-21)26-23(24)25-19-10-5-9-14-20-12-7-4-8-13-20/h4,7-8,12-13,15-18H,2-3,5-6,9-11,14,19H2,1H3
InChIKeyWGXLWZCSGWLQMU-UHFFFAOYSA-N
XLogP6.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.35
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

(4-butylphenyl) 4-phenylbutyl carbonate
CID 118690278
(4-decylphenyl) heptyl carbonate
CID 118690290
butyl (4-decylphenyl) carbonate
CID 118690266
heptyl 7-phenylheptyl carbonate
CID 67251382
(4-nonylphenyl) 4-octoxycarbonyloxybenzoate
CID 14298165
ethyl (4-pentylphenyl) carbonate
CID 118690159
4-dodecoxycarbonyloxybenzoic acid
CID 54565697
(4-aminophenyl) decyl carbonate
CID 139745082
(4-decylphenyl) methyl carbonate
CID 118690238
bis[4-(4-dodecylphenyl)phenyl] carbonate
CID 141076515
ethyl 6-phenylhexyl carbonate
CID 67250774
methyl (4-octylphenyl) carbonate
CID 118690298

Frequently Asked Questions

What is the IUPAC name of (4-pentylphenyl) 5-phenylpentyl carbonate?
The IUPAC name of (4-pentylphenyl) 5-phenylpentyl carbonate (CID 118690324) is (4-pentylphenyl) 5-phenylpentyl carbonate.
What is the SMILES notation for (4-pentylphenyl) 5-phenylpentyl carbonate?
The canonical SMILES for (4-pentylphenyl) 5-phenylpentyl carbonate is CCCCCc1ccc(OC(=O)OCCCCCc2ccccc2)cc1.
What is the InChIKey of (4-pentylphenyl) 5-phenylpentyl carbonate?
The InChIKey is WGXLWZCSGWLQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3/c1-2-3-6-11-21-15-17-22(18-16-21)26-23(24)25-19-10-5-9-14-20-12-7-4-8-13-20/h4,7-8,12-13,15-18H,2-3,5-6,9-11,14,19H2,1H3.
What are the key properties of (4-pentylphenyl) 5-phenylpentyl carbonate?
(4-pentylphenyl) 5-phenylpentyl carbonate has a molecular weight of 354.49 g/mol, XLogP of 6.35, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentylphenyl) 5-phenylpentyl carbonate is sourced from PubChem (CID 118690324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).