1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene

C20H22O2 — CID 175152033

IUPAC1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene
SMILESC=CCc1cc(OCc2ccccc2)ccc1OCC(=C)C
InChIInChI=1S/C20H22O2/c1-4-8-18-13-19(11-12-20(18)22-14-16(2)3)21-15-17-9-6-5-7-10-17/h4-7,9-13H,1-2,8,14-15H2,3H3
InChIKeyOUSNCJRXCLLKHZ-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.95
Rot. Bonds8

About 1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene

1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene (PubChem CID 175152033) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene
PubChem CID175152033
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene
SMILESC=CCc1cc(OCc2ccccc2)ccc1OCC(=C)C
InChIInChI=1S/C20H22O2/c1-4-8-18-13-19(11-12-20(18)22-14-16(2)3)21-15-17-9-6-5-7-10-17/h4-7,9-13H,1-2,8,14-15H2,3H3
InChIKeyOUSNCJRXCLLKHZ-UHFFFAOYSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.95
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

4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 22261130
1-bromo-2-(2-methylprop-2-enoxy)-4-phenylmethoxybenzene
CID 66642620
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
ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate
CID 69312280
2,4-bis(phenylmethoxy)-1-prop-1-en-2-ylbenzene
CID 24773359
2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid
CID 22261154
3-phenylmethoxy-4-prop-2-enylphenol
CID 174520142
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene
CID 50888850
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene?
The IUPAC name of 1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene (CID 175152033) is 1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene?
The canonical SMILES for 1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene is C=CCc1cc(OCc2ccccc2)ccc1OCC(=C)C.
What is the InChIKey of 1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene?
The InChIKey is OUSNCJRXCLLKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-4-8-18-13-19(11-12-20(18)22-14-16(2)3)21-15-17-9-6-5-7-10-17/h4-7,9-13H,1-2,8,14-15H2,3H3.
What are the key properties of 1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene?
1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene has a molecular weight of 294.39 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene is sourced from PubChem (CID 175152033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).