4-[4-(6-methoxyheptyl)phenyl]phenol

C20H26O2 — CID 139651988

IUPAC4-[4-(6-methoxyheptyl)phenyl]phenol
SMILESCOC(C)CCCCCc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C20H26O2/c1-16(22-2)6-4-3-5-7-17-8-10-18(11-9-17)19-12-14-20(21)15-13-19/h8-16,21H,3-7H2,1-2H3
InChIKeyUFFCCINRRGZAMO-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.20
Rot. Bonds8

About 4-[4-(6-methoxyheptyl)phenyl]phenol

4-[4-(6-methoxyheptyl)phenyl]phenol (PubChem CID 139651988) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[4-(6-methoxyheptyl)phenyl]phenol.

Molecular Properties

Compound Name4-[4-(6-methoxyheptyl)phenyl]phenol
PubChem CID139651988
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name4-[4-(6-methoxyheptyl)phenyl]phenol
SMILESCOC(C)CCCCCc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C20H26O2/c1-16(22-2)6-4-3-5-7-17-8-10-18(11-9-17)19-12-14-20(21)15-13-19/h8-16,21H,3-7H2,1-2H3
InChIKeyUFFCCINRRGZAMO-UHFFFAOYSA-N
XLogP5.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-(6-methoxyheptyl)phenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-(4-hydroxyphenyl)phenyl]heptan-2-yl benzoate
CID 139657190
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-(6,10,14-trimethylpentadecyl)phenol
CID 152684433
4-[4-(6-trimethylsilylhexyl)phenyl]phenol
CID 19763846
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509
4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
CID 14419511
4-octan-2-ylphenol;4-octylphenol
CID 157081049
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
4-[4-(2-methoxyethyl)phenyl]phenol
CID 174937616
4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol
CID 139657253

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxyheptyl)phenyl]phenol?
The IUPAC name of 4-[4-(6-methoxyheptyl)phenyl]phenol (CID 139651988) is 4-[4-(6-methoxyheptyl)phenyl]phenol.
What is the SMILES notation for 4-[4-(6-methoxyheptyl)phenyl]phenol?
The canonical SMILES for 4-[4-(6-methoxyheptyl)phenyl]phenol is COC(C)CCCCCc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-(6-methoxyheptyl)phenyl]phenol?
The InChIKey is UFFCCINRRGZAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-16(22-2)6-4-3-5-7-17-8-10-18(11-9-17)19-12-14-20(21)15-13-19/h8-16,21H,3-7H2,1-2H3.
What are the key properties of 4-[4-(6-methoxyheptyl)phenyl]phenol?
4-[4-(6-methoxyheptyl)phenyl]phenol has a molecular weight of 298.43 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxyheptyl)phenyl]phenol is sourced from PubChem (CID 139651988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).