cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate

C20H16O3 — CID 97016443

IUPACcis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1C[C@H]1c1ccco1
InChIInChI=1S/C20H16O3/c21-20(18-13-17(18)19-7-4-12-22-19)23-16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-12,17-18H,13H2/t17-,18+/m1/s1
InChIKeyAKDMNVDNBAXWFS-MSOLQXFVSA-N
MW304.35 g/mol
LogP4.66
Rot. Bonds4

About cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate

cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate (PubChem CID 97016443) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate
PubChem CID97016443
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Namecis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1C[C@H]1c1ccco1
InChIInChI=1S/C20H16O3/c21-20(18-13-17(18)19-7-4-12-22-19)23-16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-12,17-18H,13H2/t17-,18+/m1/s1
InChIKeyAKDMNVDNBAXWFS-MSOLQXFVSA-N
XLogP4.66
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate (CID 97016443) is cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate is O=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1C[C@H]1c1ccco1.
What is the InChIKey of cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate?
The InChIKey is AKDMNVDNBAXWFS-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H16O3/c21-20(18-13-17(18)19-7-4-12-22-19)23-16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-12,17-18H,13H2/t17-,18+/m1/s1.
What are the key properties of cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate?
cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 97016443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).