triphenylen-2-yl furan-3-carboxylate;hydrochloride

C23H15ClO3 — CID 142787699

IUPACtriphenylen-2-yl furan-3-carboxylate;hydrochloride
SMILESCl.O=C(Oc1ccc2c3ccccc3c3ccccc3c2c1)c1ccoc1
InChIInChI=1S/C23H14O3.ClH/c24-23(15-11-12-25-14-15)26-16-9-10-21-19-7-2-1-5-17(19)18-6-3-4-8-20(18)22(21)13-16;/h1-14H;1H
InChIKeyDUMLDLGOAMHBPZ-UHFFFAOYSA-N
MW374.82 g/mol
LogP6.38
Rot. Bonds2

About triphenylen-2-yl furan-3-carboxylate;hydrochloride

triphenylen-2-yl furan-3-carboxylate;hydrochloride (PubChem CID 142787699) has the molecular formula C23H15ClO3 and a molecular weight of 374.82 g/mol. Its IUPAC name is triphenylen-2-yl furan-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nametriphenylen-2-yl furan-3-carboxylate;hydrochloride
PubChem CID142787699
Molecular FormulaC23H15ClO3
Molecular Weight374.82 g/mol
Exact Mass374.07
IUPAC Nametriphenylen-2-yl furan-3-carboxylate;hydrochloride
SMILESCl.O=C(Oc1ccc2c3ccccc3c3ccccc3c2c1)c1ccoc1
InChIInChI=1S/C23H14O3.ClH/c24-23(15-11-12-25-14-15)26-16-9-10-21-19-7-2-1-5-17(19)18-6-3-4-8-20(18)22(21)13-16;/h1-14H;1H
InChIKeyDUMLDLGOAMHBPZ-UHFFFAOYSA-N
XLogP6.38
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.82
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

triphenylen-2-yl acetate;hydrochloride
CID 142787711
9H-carbazol-3-yl benzoate
CID 142723701
dibenzofuran-2-yl 3,5-dimethoxybenzoate
CID 4314506
2-triphenylen-2-yloxytriphenylene
CID 142787718
dibenzofuran-2-yl 3-chlorobenzoate
CID 3985789
(2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate
CID 31849790
dibenzofuran-2-yl 3,4-dimethoxybenzoate
CID 4003499
dibenzofuran-2-yl 4-(trifluoromethyl)benzoate
CID 2472761
[4-(hydroxymethyl)-2-oxochromen-7-yl] benzoate
CID 132502490
furan-3-yl-(5-methylfuran-3-yl)methanone
CID 114971729
cyclohexa-1,3-dien-1-yl furan-3-carboxylate
CID 67153177
1-phenylpropan-2-yl furan-3-carboxylate
CID 60617101

Frequently Asked Questions

What is the IUPAC name of triphenylen-2-yl furan-3-carboxylate;hydrochloride?
The IUPAC name of triphenylen-2-yl furan-3-carboxylate;hydrochloride (CID 142787699) is triphenylen-2-yl furan-3-carboxylate;hydrochloride.
What is the SMILES notation for triphenylen-2-yl furan-3-carboxylate;hydrochloride?
The canonical SMILES for triphenylen-2-yl furan-3-carboxylate;hydrochloride is Cl.O=C(Oc1ccc2c3ccccc3c3ccccc3c2c1)c1ccoc1.
What is the InChIKey of triphenylen-2-yl furan-3-carboxylate;hydrochloride?
The InChIKey is DUMLDLGOAMHBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O3.ClH/c24-23(15-11-12-25-14-15)26-16-9-10-21-19-7-2-1-5-17(19)18-6-3-4-8-20(18)22(21)13-16;/h1-14H;1H.
What are the key properties of triphenylen-2-yl furan-3-carboxylate;hydrochloride?
triphenylen-2-yl furan-3-carboxylate;hydrochloride has a molecular weight of 374.82 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylen-2-yl furan-3-carboxylate;hydrochloride is sourced from PubChem (CID 142787699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).