3-(4-hexylphenyl)prop-2-en-1-ol

C15H22O — CID 169454033

IUPAC3-(4-hexylphenyl)prop-2-en-1-ol
SMILESCCCCCCc1ccc(C=CCO)cc1
InChIInChI=1S/C15H22O/c1-2-3-4-5-7-14-9-11-15(12-10-14)8-6-13-16/h6,8-12,16H,2-5,7,13H2,1H3
InChIKeyALVWIFDAWHMDJT-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.81
Rot. Bonds7

About 3-(4-hexylphenyl)prop-2-en-1-ol

3-(4-hexylphenyl)prop-2-en-1-ol (PubChem CID 169454033) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(4-hexylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(4-hexylphenyl)prop-2-en-1-ol
PubChem CID169454033
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3-(4-hexylphenyl)prop-2-en-1-ol
SMILESCCCCCCc1ccc(C=CCO)cc1
InChIInChI=1S/C15H22O/c1-2-3-4-5-7-14-9-11-15(12-10-14)8-6-13-16/h6,8-12,16H,2-5,7,13H2,1H3
InChIKeyALVWIFDAWHMDJT-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-4-hept-1-enylbenzene
CID 173045869
1-decyl-4-[4-(4-octylphenyl)buta-1,3-dienyl]benzene
CID 173328821
4-(4-hexylphenyl)but-3-ene-1-thiol
CID 170479144
1-hexyl-4-(4-methoxybut-1-enyl)benzene
CID 69349252
4-(4-hexylphenyl)but-3-en-2-one
CID 54408874
2-amino-2-[(Z)-2-(4-octylphenyl)ethenyl]propane-1,3-diol
CID 56948666
1-undecyl-4-[2-[4-[(E)-2-[4-[2-(4-undecylphenyl)ethynyl]phenyl]ethenyl]phenyl]ethynyl]benzene
CID 59413222
1-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
(E)-3-(4-octylphenyl)prop-2-enoyl chloride
CID 88828475
4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline
CID 72543298
3-(4-hexylphenyl)prop-2-enenitrile
CID 169484163
1-hexyl-4-[(1E,5E)-6-(4-propylphenyl)hexa-1,5-dien-3-ynyl]benzene
CID 19043973

Frequently Asked Questions

What is the IUPAC name of 3-(4-hexylphenyl)prop-2-en-1-ol?
The IUPAC name of 3-(4-hexylphenyl)prop-2-en-1-ol (CID 169454033) is 3-(4-hexylphenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(4-hexylphenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(4-hexylphenyl)prop-2-en-1-ol is CCCCCCc1ccc(C=CCO)cc1.
What is the InChIKey of 3-(4-hexylphenyl)prop-2-en-1-ol?
The InChIKey is ALVWIFDAWHMDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-2-3-4-5-7-14-9-11-15(12-10-14)8-6-13-16/h6,8-12,16H,2-5,7,13H2,1H3.
What are the key properties of 3-(4-hexylphenyl)prop-2-en-1-ol?
3-(4-hexylphenyl)prop-2-en-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hexylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 169454033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).