(4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran

C13H14O — CID 85470685

IUPAC(4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran
SMILESC1=C[C@@H](/C=C/c2ccccc2)CCO1
InChIInChI=1S/C13H14O/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-8,10,13H,9,11H2/b7-6+/t13-/m1/s1
InChIKeyYZHLCMXWVLWOSR-KTRBRXNASA-N
MW186.25 g/mol
LogP3.25
Rot. Bonds2

About (4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran

(4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran (PubChem CID 85470685) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran
PubChem CID85470685
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran
SMILESC1=C[C@@H](/C=C/c2ccccc2)CCO1
InChIInChI=1S/C13H14O/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-8,10,13H,9,11H2/b7-6+/t13-/m1/s1
InChIKeyYZHLCMXWVLWOSR-KTRBRXNASA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-2-cyclopent-2-en-1-ylethenyl]benzene
CID 14358727
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
trimethyl-[3-[(Z)-2-phenylethenyl]cyclopenten-1-yl]oxysilane
CID 15448421
(2S,4S)-4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 93475595
5-(2-phenylethenyl)-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione
CID 151128115
(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170021549
(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
CID 69201329
4-[(E)-2-phenylethenyl]oxathiazinane 2,2-dioxide
CID 102230223
(3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan
CID 102575630
2-[(E)-2-phenylethenyl]cyclobutan-1-one
CID 131241395
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran?
The IUPAC name of (4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran (CID 85470685) is (4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for (4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for (4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran is C1=C[C@@H](/C=C/c2ccccc2)CCO1.
What is the InChIKey of (4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran?
The InChIKey is YZHLCMXWVLWOSR-KTRBRXNASA-N. The full InChI is InChI=1S/C13H14O/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-8,10,13H,9,11H2/b7-6+/t13-/m1/s1.
What are the key properties of (4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran?
(4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran has a molecular weight of 186.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 85470685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).