(R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol

C13H11Cl2NO — CID 27260955

IUPAC(R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol
SMILESNc1ccc([C@H](O)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(16)7-12(11)15/h1-7,13,17H,16H2/t13-/m1/s1
InChIKeyYIFRTJVDHMMVNT-CYBMUJFWSA-N
MW268.14 g/mol
LogP3.66
Rot. Bonds2

About (R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol

(R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol (PubChem CID 27260955) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is (R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name(R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol
PubChem CID27260955
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name(R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol
SMILESNc1ccc([C@H](O)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(16)7-12(11)15/h1-7,13,17H,16H2/t13-/m1/s1
InChIKeyYIFRTJVDHMMVNT-CYBMUJFWSA-N
XLogP3.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol
CID 112736201
(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
CID 20506318
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
(1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol
CID 2317253
4-amino-1-(4-amino-2-chlorophenyl)butane-1,2-diol
CID 171880949
(4-aminophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 106695594
(5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanol
CID 61100029
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline
CID 88990967
(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61083249
3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline
CID 22557387
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992

Frequently Asked Questions

What is the IUPAC name of (R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol?
The IUPAC name of (R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol (CID 27260955) is (R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol.
What is the SMILES notation for (R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol?
The canonical SMILES for (R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol is Nc1ccc([C@H](O)c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of (R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol?
The InChIKey is YIFRTJVDHMMVNT-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(16)7-12(11)15/h1-7,13,17H,16H2/t13-/m1/s1.
What are the key properties of (R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol?
(R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol has a molecular weight of 268.14 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol is sourced from PubChem (CID 27260955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).