4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene

C19H20O2 — CID 22261130

IUPAC4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
SMILESC=CCOc1ccc(OCc2ccccc2)cc1CC=C
InChIInChI=1S/C19H20O2/c1-3-8-17-14-18(11-12-19(17)20-13-4-2)21-15-16-9-6-5-7-10-16/h3-7,9-12,14H,1-2,8,13,15H2
InChIKeyMZGOFTOKOGRXPJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.56
Rot. Bonds8

About 4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene

4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene (PubChem CID 22261130) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
PubChem CID22261130
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
SMILESC=CCOc1ccc(OCc2ccccc2)cc1CC=C
InChIInChI=1S/C19H20O2/c1-3-8-17-14-18(11-12-19(17)20-13-4-2)21-15-16-9-6-5-7-10-16/h3-7,9-12,14H,1-2,8,13,15H2
InChIKeyMZGOFTOKOGRXPJ-UHFFFAOYSA-N
XLogP4.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.56
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-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene
CID 175152033
2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene
CID 50888850
4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770219
4-phenyl-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 155642904
2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene
CID 11121904
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
3-phenylmethoxy-4-prop-2-enylphenol
CID 174520142
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
3-benzyl-4-prop-2-enoxybenzaldehyde
CID 130337135
3-[2,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 86006432

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene?
The IUPAC name of 4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene (CID 22261130) is 4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene.
What is the SMILES notation for 4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene?
The canonical SMILES for 4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene is C=CCOc1ccc(OCc2ccccc2)cc1CC=C.
What is the InChIKey of 4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene?
The InChIKey is MZGOFTOKOGRXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-8-17-14-18(11-12-19(17)20-13-4-2)21-15-16-9-6-5-7-10-16/h3-7,9-12,14H,1-2,8,13,15H2.
What are the key properties of 4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene?
4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene has a molecular weight of 280.37 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene is sourced from PubChem (CID 22261130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).