4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene

C17H18O2 — CID 68966556

IUPAC4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
SMILESC=CCc1ccc(OC)cc1OCc1ccccc1
InChIInChI=1S/C17H18O2/c1-3-7-15-10-11-16(18-2)12-17(15)19-13-14-8-5-4-6-9-14/h3-6,8-12H,1,7,13H2,2H3
InChIKeyIRBLDBKYBPBDPC-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.00
Rot. Bonds6

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

4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene (PubChem CID 68966556) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene.

Molecular Properties

Compound Name4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
PubChem CID68966556
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
SMILESC=CCc1ccc(OC)cc1OCc1ccccc1
InChIInChI=1S/C17H18O2/c1-3-7-15-10-11-16(18-2)12-17(15)19-13-14-8-5-4-6-9-14/h3-6,8-12H,1,7,13H2,2H3
InChIKeyIRBLDBKYBPBDPC-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
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

3-phenylmethoxy-4-prop-2-enylphenol
CID 174520142
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
N-(3-phenylmethoxy-4-prop-2-enylphenyl)acetamide
CID 18973919
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 22261130
1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene
CID 54397178
5-methoxy-2-prop-2-enylphenol
CID 6424515
1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
CID 61267436
1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894473

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene?
The IUPAC name of 4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene (CID 68966556) is 4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene.
What is the SMILES notation for 4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene?
The canonical SMILES for 4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene is C=CCc1ccc(OC)cc1OCc1ccccc1.
What is the InChIKey of 4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene?
The InChIKey is IRBLDBKYBPBDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-7-15-10-11-16(18-2)12-17(15)19-13-14-8-5-4-6-9-14/h3-6,8-12H,1,7,13H2,2H3.
What are the key properties of 4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene?
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene has a molecular weight of 254.33 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene is sourced from PubChem (CID 68966556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).