benzhydryl 3,4-dihydro-2H-pyran-6-carboxylate

C19H18O3 — CID 70345325

IUPACbenzhydryl 3,4-dihydro-2H-pyran-6-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)C1=CCCCO1
InChIInChI=1S/C19H18O3/c20-19(17-13-7-8-14-21-17)22-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-13,18H,7-8,14H2
InChIKeyWQFBLMIVRMQQTF-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.01
Rot. Bonds4

About benzhydryl 3,4-dihydro-2H-pyran-6-carboxylate

benzhydryl 3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 70345325) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is benzhydryl 3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namebenzhydryl 3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID70345325
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Namebenzhydryl 3,4-dihydro-2H-pyran-6-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)C1=CCCCO1
InChIInChI=1S/C19H18O3/c20-19(17-13-7-8-14-21-17)22-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-13,18H,7-8,14H2
InChIKeyWQFBLMIVRMQQTF-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one
CID 71377802
3,4-dihydro-2H-pyran-6-carboxylic acid;2,2,2-trifluoroacetic acid
CID 67633900
(E)-3-(3,4-dihydro-2H-pyran-6-yl)-3-methoxy-1-phenylprop-2-en-1-one
CID 135037853
benzhydryl 3,5-diaminobenzoate
CID 102404480
benzhydryl (6R,7R)-3-(3,4-dihydro-2H-pyran-6-yl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 54010564
1-(3,4-dihydro-2H-pyran-6-yl)ethenol
CID 101235148
1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one
CID 102652750
N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 84585411
(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648583
benzhydryl cyclobutanecarboxylate
CID 134016551
benzhydryl pyridine-4-carboxylate
CID 891439
benzhydryl 3H-benzo[f]chromene-1-carboxylate
CID 160665485

Frequently Asked Questions

What is the IUPAC name of benzhydryl 3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of benzhydryl 3,4-dihydro-2H-pyran-6-carboxylate (CID 70345325) is benzhydryl 3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for benzhydryl 3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for benzhydryl 3,4-dihydro-2H-pyran-6-carboxylate is O=C(OC(c1ccccc1)c1ccccc1)C1=CCCCO1.
What is the InChIKey of benzhydryl 3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is WQFBLMIVRMQQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c20-19(17-13-7-8-14-21-17)22-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-13,18H,7-8,14H2.
What are the key properties of benzhydryl 3,4-dihydro-2H-pyran-6-carboxylate?
benzhydryl 3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 70345325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).