3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol

C25H26O3 — CID 150411288

IUPAC3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol
SMILESC=C(CC(O)c1ccc(OCCOCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H26O3/c1-20(22-10-6-3-7-11-22)18-25(26)23-12-14-24(15-13-23)28-17-16-27-19-21-8-4-2-5-9-21/h2-15,25-26H,1,16-19H2
InChIKeyHFVJMMPONJPONM-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.42
Rot. Bonds10

About 3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol

3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol (PubChem CID 150411288) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol
PubChem CID150411288
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol
SMILESC=C(CC(O)c1ccc(OCCOCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H26O3/c1-20(22-10-6-3-7-11-22)18-25(26)23-12-14-24(15-13-23)28-17-16-27-19-21-8-4-2-5-9-21/h2-15,25-26H,1,16-19H2
InChIKeyHFVJMMPONJPONM-UHFFFAOYSA-N
XLogP5.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
4-hydroxy-2-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 46843455
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
[4-(2-phenylmethoxyethoxy)phenyl]boronic acid
CID 23134166
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene
CID 121473019
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
1-[3-(2-phenylmethoxyethoxy)phenyl]propan-1-ol
CID 175772542
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
1,2-diphenyl-1-[4-[2-(2-phenylmethoxyethoxy)ethoxy]phenyl]butane-1,4-diol
CID 11226026

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol?
The IUPAC name of 3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol (CID 150411288) is 3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol.
What is the SMILES notation for 3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol?
The canonical SMILES for 3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol is C=C(CC(O)c1ccc(OCCOCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol?
The InChIKey is HFVJMMPONJPONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-20(22-10-6-3-7-11-22)18-25(26)23-12-14-24(15-13-23)28-17-16-27-19-21-8-4-2-5-9-21/h2-15,25-26H,1,16-19H2.
What are the key properties of 3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol?
3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol has a molecular weight of 374.48 g/mol, XLogP of 5.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol is sourced from PubChem (CID 150411288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).