(E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol

C17H18O2 — CID 68539604

IUPAC(E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol
SMILESOC/C=C/Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H18O2/c18-12-5-4-7-15-10-6-11-17(13-15)19-14-16-8-2-1-3-9-16/h1-6,8-11,13,18H,7,12,14H2/b5-4+
InChIKeyBHNGASRPIHHUOC-SNAWJCMRSA-N
MW254.33 g/mol
LogP3.36
Rot. Bonds6

About (E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol

(E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol (PubChem CID 68539604) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol
PubChem CID68539604
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol
SMILESOC/C=C/Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H18O2/c18-12-5-4-7-15-10-6-11-17(13-15)19-14-16-8-2-1-3-9-16/h1-6,8-11,13,18H,7,12,14H2/b5-4+
InChIKeyBHNGASRPIHHUOC-SNAWJCMRSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
CID 57238609
CID 57238609
1-phenylmethoxy-3-propylbenzene
CID 58977798
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
CID 57452903
CID 57452903
(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
CID 129362160
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol
CID 82350302
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol?
The IUPAC name of (E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol (CID 68539604) is (E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol?
The canonical SMILES for (E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol is OC/C=C/Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of (E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol?
The InChIKey is BHNGASRPIHHUOC-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H18O2/c18-12-5-4-7-15-10-6-11-17(13-15)19-14-16-8-2-1-3-9-16/h1-6,8-11,13,18H,7,12,14H2/b5-4+.
What are the key properties of (E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol?
(E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-phenylmethoxyphenyl)but-2-en-1-ol is sourced from PubChem (CID 68539604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).