1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene

C19H22O2 — CID 174583754

IUPAC1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene
SMILESC=CC(OC(C)COCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O2/c1-3-19(18-12-8-5-9-13-18)21-16(2)14-20-15-17-10-6-4-7-11-17/h3-13,16,19H,1,14-15H2,2H3
InChIKeyFDJWUYYWOOUJKI-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.54
Rot. Bonds8

About 1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene

1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene (PubChem CID 174583754) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene.

Molecular Properties

Compound Name1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene
PubChem CID174583754
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene
SMILESC=CC(OC(C)COCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O2/c1-3-19(18-12-8-5-9-13-18)21-16(2)14-20-15-17-10-6-4-7-11-17/h3-13,16,19H,1,14-15H2,2H3
InChIKeyFDJWUYYWOOUJKI-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.54
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-methoxyprop-2-enylbenzene
CID 11029990
1-[1-[1-(1-phenylprop-2-enoxy)ethylsulfanyl]ethoxy]prop-2-enylbenzene
CID 19001747
2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
CID 122595271
1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene
CID 174583749
2,2-di(propan-2-yloxy)ethoxymethylbenzene
CID 102410390
(2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol
CID 46868747
(2S)-2-(phenylmethoxymethyl)but-3-en-1-ol
CID 124630520
2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid
CID 10880992
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
1-phenoxyprop-2-enylbenzene
CID 11735962
1-phenylmethoxybut-3-en-2-ylhydrazine
CID 131115304
2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
CID 165127908

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene?
The IUPAC name of 1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene (CID 174583754) is 1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene.
What is the SMILES notation for 1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene?
The canonical SMILES for 1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene is C=CC(OC(C)COCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene?
The InChIKey is FDJWUYYWOOUJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-3-19(18-12-8-5-9-13-18)21-16(2)14-20-15-17-10-6-4-7-11-17/h3-13,16,19H,1,14-15H2,2H3.
What are the key properties of 1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene?
1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene has a molecular weight of 282.38 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene is sourced from PubChem (CID 174583754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).