4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol

C30H44O2 — CID 72958463

IUPAC4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol
SMILESCCCCCCCCCCCCOc1ccc(C(CC)=C(CC)c2ccc(O)cc2)cc1
InChIInChI=1S/C30H44O2/c1-4-7-8-9-10-11-12-13-14-15-24-32-28-22-18-26(19-23-28)30(6-3)29(5-2)25-16-20-27(31)21-17-25/h16-23,31H,4-15,24H2,1-3H3
InChIKeyHOPSMTPTGMUGGA-UHFFFAOYSA-N
MW436.68 g/mol
LogP9.42
Rot. Bonds16

About 4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol

4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol (PubChem CID 72958463) has the molecular formula C30H44O2 and a molecular weight of 436.68 g/mol. Its IUPAC name is 4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol
PubChem CID72958463
Molecular FormulaC30H44O2
Molecular Weight436.68 g/mol
Exact Mass436.33
IUPAC Name4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol
SMILESCCCCCCCCCCCCOc1ccc(C(CC)=C(CC)c2ccc(O)cc2)cc1
InChIInChI=1S/C30H44O2/c1-4-7-8-9-10-11-12-13-14-15-24-32-28-22-18-26(19-23-28)30(6-3)29(5-2)25-16-20-27(31)21-17-25/h16-23,31H,4-15,24H2,1-3H3
InChIKeyHOPSMTPTGMUGGA-UHFFFAOYSA-N
XLogP9.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-octadecoxyphenol
CID 22179059
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
4-[2-[4-(4-hydroxybutoxy)phenyl]-1-(4-hydroxyphenyl)but-1-enyl]phenol
CID 16743767
1-octoxy-4-[1,2,2-tris(4-octoxyphenyl)ethenyl]benzene
CID 177402609
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
4-[(4-hydroxyphenyl)-(4-octoxyphenyl)methyl]phenol
CID 139680451
4-(4-tetradecoxyanilino)phenol
CID 174780996
4-(4-tetradecoxyphenyl)tellanylphenol
CID 10255753
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol?
The IUPAC name of 4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol (CID 72958463) is 4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol.
What is the SMILES notation for 4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol?
The canonical SMILES for 4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol is CCCCCCCCCCCCOc1ccc(C(CC)=C(CC)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol?
The InChIKey is HOPSMTPTGMUGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44O2/c1-4-7-8-9-10-11-12-13-14-15-24-32-28-22-18-26(19-23-28)30(6-3)29(5-2)25-16-20-27(31)21-17-25/h16-23,31H,4-15,24H2,1-3H3.
What are the key properties of 4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol?
4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol has a molecular weight of 436.68 g/mol, XLogP of 9.42, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol is sourced from PubChem (CID 72958463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).