2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol

C24H24Cl2O2 — CID 16741909

IUPAC2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol
SMILESCCCCCCc1ccc(-c2cc(O)c(-c3ccccc3Cl)cc2O)c(Cl)c1
InChIInChI=1S/C24H24Cl2O2/c1-2-3-4-5-8-16-11-12-18(22(26)13-16)20-15-23(27)19(14-24(20)28)17-9-6-7-10-21(17)25/h6-7,9-15,27-28H,2-5,8H2,1H3
InChIKeyAKRLVRMWVCIELX-UHFFFAOYSA-N
MW415.36 g/mol
LogP7.86
Rot. Bonds7

About 2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol

2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol (PubChem CID 16741909) has the molecular formula C24H24Cl2O2 and a molecular weight of 415.36 g/mol. Its IUPAC name is 2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol
PubChem CID16741909
Molecular FormulaC24H24Cl2O2
Molecular Weight415.36 g/mol
Exact Mass414.12
IUPAC Name2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol
SMILESCCCCCCc1ccc(-c2cc(O)c(-c3ccccc3Cl)cc2O)c(Cl)c1
InChIInChI=1S/C24H24Cl2O2/c1-2-3-4-5-8-16-11-12-18(22(26)13-16)20-15-23(27)19(14-24(20)28)17-9-6-7-10-21(17)25/h6-7,9-15,27-28H,2-5,8H2,1H3
InChIKeyAKRLVRMWVCIELX-UHFFFAOYSA-N
XLogP7.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.36
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929
(2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone
CID 71393448
2-octylanthracene-9,10-dione
CID 141254876
anthracene-9,10-dione;1-chloroanthracene-9,10-dione;2-pentylanthracene-9,10-dione
CID 174787165
2-chloro-4-heptylaniline
CID 21161447
4-pentyl-2-phenylphenol
CID 154147556
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
2-(9H-fluoren-1-yl)-4-nonylphenol
CID 152722460
2-hexyl-9H-fluorene
CID 2801684
4-(2-aminoethyl)-2-(2-chlorophenyl)phenol;hydrochloride
CID 163801229

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol?
The IUPAC name of 2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol (CID 16741909) is 2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol.
What is the SMILES notation for 2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol?
The canonical SMILES for 2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol is CCCCCCc1ccc(-c2cc(O)c(-c3ccccc3Cl)cc2O)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol?
The InChIKey is AKRLVRMWVCIELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2O2/c1-2-3-4-5-8-16-11-12-18(22(26)13-16)20-15-23(27)19(14-24(20)28)17-9-6-7-10-21(17)25/h6-7,9-15,27-28H,2-5,8H2,1H3.
What are the key properties of 2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol?
2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol has a molecular weight of 415.36 g/mol, XLogP of 7.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol is sourced from PubChem (CID 16741909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).