3-(1-methoxyethenyl)-5-phenylmethoxyphenol

C16H16O3 — CID 67489270

IUPAC3-(1-methoxyethenyl)-5-phenylmethoxyphenol
SMILESC=C(OC)c1cc(O)cc(OCc2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-12(18-2)14-8-15(17)10-16(9-14)19-11-13-6-4-3-5-7-13/h3-10,17H,1,11H2,2H3
InChIKeySHJLMQTXQZVNPW-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.59
Rot. Bonds5

About 3-(1-methoxyethenyl)-5-phenylmethoxyphenol

3-(1-methoxyethenyl)-5-phenylmethoxyphenol (PubChem CID 67489270) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(1-methoxyethenyl)-5-phenylmethoxyphenol.

Molecular Properties

Compound Name3-(1-methoxyethenyl)-5-phenylmethoxyphenol
PubChem CID67489270
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-(1-methoxyethenyl)-5-phenylmethoxyphenol
SMILESC=C(OC)c1cc(O)cc(OCc2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-12(18-2)14-8-15(17)10-16(9-14)19-11-13-6-4-3-5-7-13/h3-10,17H,1,11H2,2H3
InChIKeySHJLMQTXQZVNPW-UHFFFAOYSA-N
XLogP3.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxyethenyl)-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzene
CID 67489263
(3-hydroxy-5-phenylmethoxyphenyl)-phenylmethanone
CID 71119902
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
methyl 3-chloro-5-phenylmethoxybenzoate
CID 70086004
benzyl 3,5-bis(phenylmethoxy)benzoate;3,5-dihydroxybenzoic acid
CID 158844750
methyl 3,5-bis[3-(4-phenylmethoxyphenoxy)propoxy]benzoate
CID 54529309
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893
(3-hydroxy-5-phenylmethoxyphenyl) propanoate
CID 174707426
1-methyl-4-phenylmethoxypyrrol-2-ol
CID 134892520
3,5-bis(phenylmethoxy)benzoate
CID 6986896

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethenyl)-5-phenylmethoxyphenol?
The IUPAC name of 3-(1-methoxyethenyl)-5-phenylmethoxyphenol (CID 67489270) is 3-(1-methoxyethenyl)-5-phenylmethoxyphenol.
What is the SMILES notation for 3-(1-methoxyethenyl)-5-phenylmethoxyphenol?
The canonical SMILES for 3-(1-methoxyethenyl)-5-phenylmethoxyphenol is C=C(OC)c1cc(O)cc(OCc2ccccc2)c1.
What is the InChIKey of 3-(1-methoxyethenyl)-5-phenylmethoxyphenol?
The InChIKey is SHJLMQTXQZVNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12(18-2)14-8-15(17)10-16(9-14)19-11-13-6-4-3-5-7-13/h3-10,17H,1,11H2,2H3.
What are the key properties of 3-(1-methoxyethenyl)-5-phenylmethoxyphenol?
3-(1-methoxyethenyl)-5-phenylmethoxyphenol has a molecular weight of 256.30 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethenyl)-5-phenylmethoxyphenol is sourced from PubChem (CID 67489270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).