1-methoxy-3-(1-phenylprop-2-enoxy)benzene

C16H16O2 — CID 68585069

IUPAC1-methoxy-3-(1-phenylprop-2-enoxy)benzene
SMILESC=CC(Oc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-3-16(13-8-5-4-6-9-13)18-15-11-7-10-14(12-15)17-2/h3-12,16H,1H2,2H3
InChIKeySKPYXWLLJCMWKR-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.00
Rot. Bonds5

About 1-methoxy-3-(1-phenylprop-2-enoxy)benzene

1-methoxy-3-(1-phenylprop-2-enoxy)benzene (PubChem CID 68585069) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-methoxy-3-(1-phenylprop-2-enoxy)benzene.

Molecular Properties

Compound Name1-methoxy-3-(1-phenylprop-2-enoxy)benzene
PubChem CID68585069
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-methoxy-3-(1-phenylprop-2-enoxy)benzene
SMILESC=CC(Oc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-3-16(13-8-5-4-6-9-13)18-15-11-7-10-14(12-15)17-2/h3-12,16H,1H2,2H3
InChIKeySKPYXWLLJCMWKR-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxyprop-2-enylbenzene
CID 11735962
N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline
CID 68584569
3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde
CID 7343496
1-methoxyprop-2-enylbenzene
CID 11029990
(1R)-1-(3-methoxyphenyl)prop-2-en-1-amine
CID 55278128
azane;1-but-3-en-2-yl-3-methoxybenzene
CID 143849691
2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396
(2R,3R)-3-(3-methoxyphenyl)-2-methylpent-4-enoic acid
CID 118204888
(1R,2S)-1-(3-methoxyphenyl)-2-methylbut-3-en-1-ol
CID 139262042
2-(3-methoxy-5-methylphenoxy)-2-phenylacetaldehyde
CID 91405361
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(1-phenylprop-2-enoxy)benzene?
The IUPAC name of 1-methoxy-3-(1-phenylprop-2-enoxy)benzene (CID 68585069) is 1-methoxy-3-(1-phenylprop-2-enoxy)benzene.
What is the SMILES notation for 1-methoxy-3-(1-phenylprop-2-enoxy)benzene?
The canonical SMILES for 1-methoxy-3-(1-phenylprop-2-enoxy)benzene is C=CC(Oc1cccc(OC)c1)c1ccccc1.
What is the InChIKey of 1-methoxy-3-(1-phenylprop-2-enoxy)benzene?
The InChIKey is SKPYXWLLJCMWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-16(13-8-5-4-6-9-13)18-15-11-7-10-14(12-15)17-2/h3-12,16H,1H2,2H3.
What are the key properties of 1-methoxy-3-(1-phenylprop-2-enoxy)benzene?
1-methoxy-3-(1-phenylprop-2-enoxy)benzene has a molecular weight of 240.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(1-phenylprop-2-enoxy)benzene is sourced from PubChem (CID 68585069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).