3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol

C20H24O2 — CID 141015798

IUPAC3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol
SMILESC=CC(CCO)COCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24O2/c1-2-17(12-14-21)16-22-15-13-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h2-11,17,21H,1,12-16H2
InChIKeyIMMXTHMNCAUVDA-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.10
Rot. Bonds9

About 3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol

3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol (PubChem CID 141015798) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol.

Molecular Properties

Compound Name3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol
PubChem CID141015798
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol
SMILESC=CC(CCO)COCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24O2/c1-2-17(12-14-21)16-22-15-13-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h2-11,17,21H,1,12-16H2
InChIKeyIMMXTHMNCAUVDA-UHFFFAOYSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-4-phenylbenzene
CID 70520458
(2S)-2-(phenylmethoxymethyl)but-3-en-1-ol
CID 124630520
1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene
CID 142629020
2-amino-3-(2-phenylethoxy)propan-1-ol
CID 77236117
4-(4-phenylphenyl)butan-1-ol
CID 11970468
4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline
CID 89417377
1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene
CID 70521274
1-phenyl-3-(2-phenylethoxy)propan-2-ol
CID 150542863
[(2S)-2-ethenylhexoxy]methylbenzene
CID 50898080
3-ethenyl-6-phenylhexane-1,4-diol
CID 10513125
1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene
CID 22082114
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol?
The IUPAC name of 3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol (CID 141015798) is 3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol.
What is the SMILES notation for 3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol?
The canonical SMILES for 3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol is C=CC(CCO)COCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol?
The InChIKey is IMMXTHMNCAUVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-2-17(12-14-21)16-22-15-13-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h2-11,17,21H,1,12-16H2.
What are the key properties of 3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol?
3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol has a molecular weight of 296.41 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol is sourced from PubChem (CID 141015798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).