(2R,3R)-2-phenyl-3-prop-1-en-2-yloxane

C14H18O — CID 134858494

IUPAC(2R,3R)-2-phenyl-3-prop-1-en-2-yloxane
SMILESC=C(C)[C@H]1CCCO[C@H]1c1ccccc1
InChIInChI=1S/C14H18O/c1-11(2)13-9-6-10-15-14(13)12-7-4-3-5-8-12/h3-5,7-8,13-14H,1,6,9-10H2,2H3/t13-,14+/m1/s1
InChIKeyIKMBALVWPKJSOA-KGLIPLIRSA-N
MW202.30 g/mol
LogP3.73
Rot. Bonds2

About (2R,3R)-2-phenyl-3-prop-1-en-2-yloxane

(2R,3R)-2-phenyl-3-prop-1-en-2-yloxane (PubChem CID 134858494) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (2R,3R)-2-phenyl-3-prop-1-en-2-yloxane.

Molecular Properties

Compound Name(2R,3R)-2-phenyl-3-prop-1-en-2-yloxane
PubChem CID134858494
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(2R,3R)-2-phenyl-3-prop-1-en-2-yloxane
SMILESC=C(C)[C@H]1CCCO[C@H]1c1ccccc1
InChIInChI=1S/C14H18O/c1-11(2)13-9-6-10-15-14(13)12-7-4-3-5-8-12/h3-5,7-8,13-14H,1,6,9-10H2,2H3/t13-,14+/m1/s1
InChIKeyIKMBALVWPKJSOA-KGLIPLIRSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[(2S,3R)-2-phenyloxane-3-carbonyl]amino]acetic acid
CID 93433880
(4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 56816540
(2R,3S)-2-phenyloxan-3-amine
CID 131044940
(2S,3R)-3-fluoro-2-phenyloxane
CID 102315049
3-[methyl-(2-phenyloxane-3-carbonyl)amino]propanoic acid
CID 60989897
phenyl-(2-phenyloxolan-3-yl)methanone
CID 73097073
(2S,3S)-N-methyl-2-phenyloxan-3-amine
CID 95562331
N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide
CID 103578898
(2R,3R)-2-(4-bromophenyl)oxane-3-carboxylic acid
CID 67311252
(3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 103575804
(2-phenyloxan-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119401034
(3-aminopyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 62068728

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-phenyl-3-prop-1-en-2-yloxane?
The IUPAC name of (2R,3R)-2-phenyl-3-prop-1-en-2-yloxane (CID 134858494) is (2R,3R)-2-phenyl-3-prop-1-en-2-yloxane.
What is the SMILES notation for (2R,3R)-2-phenyl-3-prop-1-en-2-yloxane?
The canonical SMILES for (2R,3R)-2-phenyl-3-prop-1-en-2-yloxane is C=C(C)[C@H]1CCCO[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2-phenyl-3-prop-1-en-2-yloxane?
The InChIKey is IKMBALVWPKJSOA-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H18O/c1-11(2)13-9-6-10-15-14(13)12-7-4-3-5-8-12/h3-5,7-8,13-14H,1,6,9-10H2,2H3/t13-,14+/m1/s1.
What are the key properties of (2R,3R)-2-phenyl-3-prop-1-en-2-yloxane?
(2R,3R)-2-phenyl-3-prop-1-en-2-yloxane has a molecular weight of 202.30 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-phenyl-3-prop-1-en-2-yloxane is sourced from PubChem (CID 134858494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).