[4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone

C22H26O3 — CID 144696670

IUPAC[4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone
SMILESC/C=C/c1ccc(C(=O)c2ccc(OCCCCCCO)cc2)cc1
InChIInChI=1S/C22H26O3/c1-2-7-18-8-10-19(11-9-18)22(24)20-12-14-21(15-13-20)25-17-6-4-3-5-16-23/h2,7-15,23H,3-6,16-17H2,1H3/b7-2+
InChIKeyAJIFVBYSNYOQBB-FARCUNLSSA-N
MW338.45 g/mol
LogP4.88
Rot. Bonds10

About [4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone

[4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone (PubChem CID 144696670) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is [4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone
PubChem CID144696670
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name[4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone
SMILESC/C=C/c1ccc(C(=O)c2ccc(OCCCCCCO)cc2)cc1
InChIInChI=1S/C22H26O3/c1-2-7-18-8-10-19(11-9-18)22(24)20-12-14-21(15-13-20)25-17-6-4-3-5-16-23/h2,7-15,23H,3-6,16-17H2,1H3/b7-2+
InChIKeyAJIFVBYSNYOQBB-FARCUNLSSA-N
XLogP4.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone with MolForge

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Related Compounds

methyl (E)-3-[4-[4-(6-hydroxyhexoxy)benzoyl]phenyl]prop-2-enoate
CID 90399471
tert-butyl 3-[4-[4-(8-hydroxyoctoxy)benzoyl]phenyl]prop-2-enoate
CID 154344431
2-(4-prop-1-enylphenoxy)ethanol
CID 54412247
3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid
CID 70144087
(E)-1-(4-fluorophenyl)-3-[4-[8-(4-prop-1-enylphenoxy)octoxy]phenyl]prop-2-en-1-one
CID 174464309
tert-butyl 3-[4-[4-(3-hydroxypropoxy)benzoyl]phenyl]prop-2-enoate
CID 154396740
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol
CID 166905123
5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde
CID 91183651
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756

Frequently Asked Questions

What is the IUPAC name of [4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone?
The IUPAC name of [4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone (CID 144696670) is [4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone.
What is the SMILES notation for [4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone?
The canonical SMILES for [4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone is C/C=C/c1ccc(C(=O)c2ccc(OCCCCCCO)cc2)cc1.
What is the InChIKey of [4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone?
The InChIKey is AJIFVBYSNYOQBB-FARCUNLSSA-N. The full InChI is InChI=1S/C22H26O3/c1-2-7-18-8-10-19(11-9-18)22(24)20-12-14-21(15-13-20)25-17-6-4-3-5-16-23/h2,7-15,23H,3-6,16-17H2,1H3/b7-2+.
What are the key properties of [4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone?
[4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone has a molecular weight of 338.45 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone is sourced from PubChem (CID 144696670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).