3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol

C18H20O3 — CID 169454327

IUPAC3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
SMILESCCOc1cc(C=CCO)ccc1OCc1ccccc1
InChIInChI=1S/C18H20O3/c1-2-20-18-13-15(9-6-12-19)10-11-17(18)21-14-16-7-4-3-5-8-16/h3-11,13,19H,2,12,14H2,1H3
InChIKeyUWOGVMATEZOXSE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.67
Rot. Bonds7

About 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol

3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol (PubChem CID 169454327) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
PubChem CID169454327
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
SMILESCCOc1cc(C=CCO)ccc1OCc1ccccc1
InChIInChI=1S/C18H20O3/c1-2-20-18-13-15(9-6-12-19)10-11-17(18)21-14-16-7-4-3-5-8-16/h3-11,13,19H,2,12,14H2,1H3
InChIKeyUWOGVMATEZOXSE-UHFFFAOYSA-N
XLogP3.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide
CID 169466602
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
(E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol
CID 11775336
2-[[(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534978
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
3-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 22684129
3-(3-chloro-4-ethoxyphenyl)prop-2-en-1-ol
CID 141410707
S-[3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl] ethanethioate
CID 169458371
(E)-4-(3,4-diethoxyphenyl)but-3-enoic acid
CID 102534267

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol (CID 169454327) is 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol is CCOc1cc(C=CCO)ccc1OCc1ccccc1.
What is the InChIKey of 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol?
The InChIKey is UWOGVMATEZOXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-20-18-13-15(9-6-12-19)10-11-17(18)21-14-16-7-4-3-5-8-16/h3-11,13,19H,2,12,14H2,1H3.
What are the key properties of 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol?
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol has a molecular weight of 284.36 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 169454327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).