(3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate

C25H22O3 — CID 134119620

IUPAC(3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESO=C(OCc1cccc(-c2ccccc2)c1)C1=C(c2ccccc2)OCCC1
InChIInChI=1S/C25H22O3/c26-25(23-15-8-16-27-24(23)21-12-5-2-6-13-21)28-18-19-9-7-14-22(17-19)20-10-3-1-4-11-20/h1-7,9-14,17H,8,15-16,18H2
InChIKeyPPEIGCMKULUIJR-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.62
Rot. Bonds5

About (3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate

(3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 134119620) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Name(3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID134119620
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Name(3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESO=C(OCc1cccc(-c2ccccc2)c1)C1=C(c2ccccc2)OCCC1
InChIInChI=1S/C25H22O3/c26-25(23-15-8-16-27-24(23)21-12-5-2-6-13-21)28-18-19-9-7-14-22(17-19)20-10-3-1-4-11-20/h1-7,9-14,17H,8,15-16,18H2
InChIKeyPPEIGCMKULUIJR-UHFFFAOYSA-N
XLogP5.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenylphenyl)methyl propanoate
CID 67574989
benzyl 6-tributylstannyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 10874848
4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid
CID 123340763
2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724
[3-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]phenyl]methyl propanoate
CID 175721058
(4-phenylphenyl)methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 7238987
6-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 75389888
1-O-tert-butyl 3-O-[(3-phenylphenyl)methyl] (2S)-2-benzyl-2-methylpropanedioate
CID 71723785
oxan-2-ylmethyl 3-phenylbenzoate
CID 23625075
benzyl 3-(3-formylphenyl)benzoate
CID 177345183
1-amino-3-(3-phenylphenyl)propan-2-one
CID 161234923
[4-[3-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 139921070

Frequently Asked Questions

What is the IUPAC name of (3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of (3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate (CID 134119620) is (3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for (3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for (3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate is O=C(OCc1cccc(-c2ccccc2)c1)C1=C(c2ccccc2)OCCC1.
What is the InChIKey of (3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is PPEIGCMKULUIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O3/c26-25(23-15-8-16-27-24(23)21-12-5-2-6-13-21)28-18-19-9-7-14-22(17-19)20-10-3-1-4-11-20/h1-7,9-14,17H,8,15-16,18H2.
What are the key properties of (3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate?
(3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylphenyl)methyl 6-phenyl-3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 134119620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).