1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene

C18H20O2 — CID 57058324

IUPAC1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene
SMILESCCOC(C)=Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H20O2/c1-3-19-15(2)12-17-10-7-11-18(13-17)20-14-16-8-5-4-6-9-16/h4-13H,3,14H2,1-2H3
InChIKeyZVPFDEFTRMRGNW-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.66
Rot. Bonds6

About 1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene

1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene (PubChem CID 57058324) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene
PubChem CID57058324
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene
SMILESCCOC(C)=Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H20O2/c1-3-19-15(2)12-17-10-7-11-18(13-17)20-14-16-8-5-4-6-9-16/h4-13H,3,14H2,1-2H3
InChIKeyZVPFDEFTRMRGNW-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-3-(3-phenylmethoxyphenyl)prop-2-enoic acid
CID 69009380
ethyl (2E)-2-[(3-phenylmethoxyphenyl)methylidene]butanoate
CID 59590524
ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate
CID 170797112
(E)-3-ethoxycarbonyl-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 59590470
1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene
CID 24721025
2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 2853976
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate
CID 70527588
ethyl 2-hydroxy-2-(3-phenylmethoxyphenyl)ethanimidate
CID 90477082
(E)-3-methoxycarbonyl-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 68858206
1-ethoxy-3-(2-methylprop-1-enyl)benzene
CID 139695062
(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 102534265

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene?
The IUPAC name of 1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene (CID 57058324) is 1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene.
What is the SMILES notation for 1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene?
The canonical SMILES for 1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene is CCOC(C)=Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene?
The InChIKey is ZVPFDEFTRMRGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-19-15(2)12-17-10-7-11-18(13-17)20-14-16-8-5-4-6-9-16/h4-13H,3,14H2,1-2H3.
What are the key properties of 1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene?
1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene has a molecular weight of 268.36 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyprop-1-enyl)-3-phenylmethoxybenzene is sourced from PubChem (CID 57058324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).