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

C17H18O2 — CID 54307612

IUPAC4-(2-phenylmethoxyphenyl)but-3-en-1-ol
SMILESOCCC=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C17H18O2/c18-13-7-6-11-16-10-4-5-12-17(16)19-14-15-8-2-1-3-9-15/h1-6,8-12,18H,7,13-14H2
InChIKeySIQBXURVMPLEDG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.66
Rot. Bonds6

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

4-(2-phenylmethoxyphenyl)but-3-en-1-ol (PubChem CID 54307612) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(2-phenylmethoxyphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(2-phenylmethoxyphenyl)but-3-en-1-ol
PubChem CID54307612
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-(2-phenylmethoxyphenyl)but-3-en-1-ol
SMILESOCCC=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C17H18O2/c18-13-7-6-11-16-10-4-5-12-17(16)19-14-15-8-2-1-3-9-15/h1-6,8-12,18H,7,13-14H2
InChIKeySIQBXURVMPLEDG-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-methoxyprop-1-enyl]-2-phenylmethoxybenzene
CID 141153836
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene
CID 151010304
3-(4-ethyl-2-phenylmethoxyphenyl)prop-2-en-1-ol
CID 69057883
2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide
CID 170477419
(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 15255199
methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 70346485
(2-phenylmethoxyphenyl)methylidenehydrazine
CID 78678885
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 53405811

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxyphenyl)but-3-en-1-ol?
The IUPAC name of 4-(2-phenylmethoxyphenyl)but-3-en-1-ol (CID 54307612) is 4-(2-phenylmethoxyphenyl)but-3-en-1-ol.
What is the SMILES notation for 4-(2-phenylmethoxyphenyl)but-3-en-1-ol?
The canonical SMILES for 4-(2-phenylmethoxyphenyl)but-3-en-1-ol is OCCC=Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 4-(2-phenylmethoxyphenyl)but-3-en-1-ol?
The InChIKey is SIQBXURVMPLEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-13-7-6-11-16-10-4-5-12-17(16)19-14-15-8-2-1-3-9-15/h1-6,8-12,18H,7,13-14H2.
What are the key properties of 4-(2-phenylmethoxyphenyl)but-3-en-1-ol?
4-(2-phenylmethoxyphenyl)but-3-en-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxyphenyl)but-3-en-1-ol is sourced from PubChem (CID 54307612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).