2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane

C15H20O3 — CID 134952605

IUPAC2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane
SMILESC=C[C@@H](CCC1OCCO1)c1cccc(OC)c1
InChIInChI=1S/C15H20O3/c1-3-12(7-8-15-17-9-10-18-15)13-5-4-6-14(11-13)16-2/h3-6,11-12,15H,1,7-10H2,2H3/t12-/m0/s1
InChIKeyVCECUZNSUVGSSL-LBPRGKRZSA-N
MW248.32 g/mol
LogP3.12
Rot. Bonds6

About 2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane

2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane (PubChem CID 134952605) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane
PubChem CID134952605
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane
SMILESC=C[C@@H](CCC1OCCO1)c1cccc(OC)c1
InChIInChI=1S/C15H20O3/c1-3-12(7-8-15-17-9-10-18-15)13-5-4-6-14(11-13)16-2/h3-6,11-12,15H,1,7-10H2,2H3/t12-/m0/s1
InChIKeyVCECUZNSUVGSSL-LBPRGKRZSA-N
XLogP3.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole
CID 155804386
(1R,2S)-1-(3-methoxyphenyl)-2-methylbut-3-en-1-ol
CID 139262042
(1R)-1-(3-methoxyphenyl)prop-2-en-1-amine
CID 55278128
azane;1-but-3-en-2-yl-3-methoxybenzene
CID 143849691
(4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15314141
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane
CID 117062487
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
3-(3-methoxyphenyl)-2-methylpent-4-enal
CID 174715071
(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
CID 124706268

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane (CID 134952605) is 2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane is C=C[C@@H](CCC1OCCO1)c1cccc(OC)c1.
What is the InChIKey of 2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane?
The InChIKey is VCECUZNSUVGSSL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-12(7-8-15-17-9-10-18-15)13-5-4-6-14(11-13)16-2/h3-6,11-12,15H,1,7-10H2,2H3/t12-/m0/s1.
What are the key properties of 2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane?
2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane has a molecular weight of 248.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane is sourced from PubChem (CID 134952605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).