3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran

C19H17ClO — CID 135013023

IUPAC3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran
SMILESClC1COCC=C1C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17ClO/c20-19-14-21-12-11-17(19)13-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-11,13,19H,12,14H2
InChIKeyFRDLXZKXNINSFD-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.68
Rot. Bonds3

About 3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran

3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran (PubChem CID 135013023) has the molecular formula C19H17ClO and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran
PubChem CID135013023
Molecular FormulaC19H17ClO
Molecular Weight296.80 g/mol
Exact Mass296.10
IUPAC Name3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran
SMILESClC1COCC=C1C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17ClO/c20-19-14-21-12-11-17(19)13-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-11,13,19H,12,14H2
InChIKeyFRDLXZKXNINSFD-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-diphenylethenyl)-4-methyloxolane
CID 11414404
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
CID 173126547
CID 173126547
1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene
CID 102155434
2-[(Z)-2-(3-chlorophenyl)-2-phenylethenyl]-1,4-dioxane
CID 162406838
1,2-diphenylethenylbenzene;furan
CID 175372951
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
CID 172843956
CID 172843956
2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone
CID 11208975
(3Z)-3-[bromo(phenyl)methylidene]-4-ethenyloxolane
CID 101486116
[(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane
CID 10250621
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran (CID 135013023) is 3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran is ClC1COCC=C1C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran?
The InChIKey is FRDLXZKXNINSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClO/c20-19-14-21-12-11-17(19)13-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-11,13,19H,12,14H2.
What are the key properties of 3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran?
3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran has a molecular weight of 296.80 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 135013023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).