2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol

C25H34Cl2O2 — CID 20650414

IUPAC2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol
SMILESCCCCCCCCCCCCOc1ccc(Cc2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C25H34Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-16-29-22-14-12-20(13-15-22)17-21-18-23(26)25(28)24(27)19-21/h12-15,18-19,28H,2-11,16-17H2,1H3
InChIKeySORSQORQHVFUCK-UHFFFAOYSA-N
MW437.45 g/mol
LogP8.59
Rot. Bonds14

About 2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol

2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol (PubChem CID 20650414) has the molecular formula C25H34Cl2O2 and a molecular weight of 437.45 g/mol. Its IUPAC name is 2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol
PubChem CID20650414
Molecular FormulaC25H34Cl2O2
Molecular Weight437.45 g/mol
Exact Mass436.19
IUPAC Name2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol
SMILESCCCCCCCCCCCCOc1ccc(Cc2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C25H34Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-16-29-22-14-12-20(13-15-22)17-21-18-23(26)25(28)24(27)19-21/h12-15,18-19,28H,2-11,16-17H2,1H3
InChIKeySORSQORQHVFUCK-UHFFFAOYSA-N
XLogP8.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.45
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]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

1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,3-dichloro-5-[(4-dodecoxyphenoxy)sulfinylamino]-2-hydroxybenzene
CID 18724561
1-(chloromethyl)-4-octadecoxybenzene
CID 11463563
4-octadecoxyphenol
CID 22179059
1,4-dipentoxybenzene
CID 18314717
1-hexoxy-4-pentylbenzene
CID 54277450
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
1-nonoxy-4-propylbenzene
CID 118632119
(4-decoxyphenyl)methanamine
CID 55187501
N-[(4-octoxyphenyl)methyl]hydroxylamine
CID 22368623
2-(4-pentoxyphenyl)acetate
CID 7009494

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol?
The IUPAC name of 2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol (CID 20650414) is 2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol?
The canonical SMILES for 2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol is CCCCCCCCCCCCOc1ccc(Cc2cc(Cl)c(O)c(Cl)c2)cc1.
What is the InChIKey of 2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol?
The InChIKey is SORSQORQHVFUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-16-29-22-14-12-20(13-15-22)17-21-18-23(26)25(28)24(27)19-21/h12-15,18-19,28H,2-11,16-17H2,1H3.
What are the key properties of 2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol?
2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol has a molecular weight of 437.45 g/mol, XLogP of 8.59, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(4-dodecoxyphenyl)methyl]phenol is sourced from PubChem (CID 20650414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).