1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol

C20H24O2 — CID 70442593

IUPAC1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol
SMILESC=CC(O)c1ccc(-c2ccc(OCCCCC)cc2)cc1
InChIInChI=1S/C20H24O2/c1-3-5-6-15-22-19-13-11-17(12-14-19)16-7-9-18(10-8-16)20(21)4-2/h4,7-14,20-21H,2-3,5-6,15H2,1H3
InChIKeyLYNYPJABTLYEID-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.14
Rot. Bonds8

About 1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol

1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol (PubChem CID 70442593) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol
PubChem CID70442593
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol
SMILESC=CC(O)c1ccc(-c2ccc(OCCCCC)cc2)cc1
InChIInChI=1S/C20H24O2/c1-3-5-6-15-22-19-13-11-17(12-14-19)16-7-9-18(10-8-16)20(21)4-2/h4,7-14,20-21H,2-3,5-6,15H2,1H3
InChIKeyLYNYPJABTLYEID-UHFFFAOYSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.14
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

[4-(4-hexoxyphenyl)phenyl]-methoxymethanol
CID 163939935
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
bis(4-octoxyphenyl)methanol
CID 139262063
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
2-[4-(4-octoxyphenyl)phenyl]propane-1,3-diol
CID 70414830
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
[4-(4-octadecoxyphenyl)phenyl] prop-2-enoate
CID 122382243
1,4-dipentoxybenzene
CID 18314717
1-butoxy-4-[4-(1-tetradecoxyethyl)phenyl]benzene
CID 139693996
1-(1-pentoxyethyl)-4-(4-tridecoxyphenyl)benzene
CID 139693623

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol?
The IUPAC name of 1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol (CID 70442593) is 1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for 1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol is C=CC(O)c1ccc(-c2ccc(OCCCCC)cc2)cc1.
What is the InChIKey of 1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol?
The InChIKey is LYNYPJABTLYEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-3-5-6-15-22-19-13-11-17(12-14-19)16-7-9-18(10-8-16)20(21)4-2/h4,7-14,20-21H,2-3,5-6,15H2,1H3.
What are the key properties of 1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol?
1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol has a molecular weight of 296.41 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 70442593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).