(3-amino-5-chlorophenyl)methanol

C7H8ClNO — CID 53418395

IUPAC(3-amino-5-chlorophenyl)methanol
SMILESNc1cc(Cl)cc(CO)c1
InChIInChI=1S/C7H8ClNO/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4,9H2
InChIKeyJXTKFWIYCRWWJD-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.41
Rot. Bonds1

About (3-amino-5-chlorophenyl)methanol

(3-amino-5-chlorophenyl)methanol (PubChem CID 53418395) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is (3-amino-5-chlorophenyl)methanol.

Molecular Properties

Compound Name(3-amino-5-chlorophenyl)methanol
PubChem CID53418395
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name(3-amino-5-chlorophenyl)methanol
SMILESNc1cc(Cl)cc(CO)c1
InChIInChI=1S/C7H8ClNO/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4,9H2
InChIKeyJXTKFWIYCRWWJD-UHFFFAOYSA-N
XLogP1.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.41
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

3-Aminobenzyl alcohol
CID 80293
2-Amino-5-chlorobenzyl alcohol
CID 586754
(5-Amino-2-chlorophenyl)methanol
CID 13567962
(2-Amino-4-chlorophenyl)methanol
CID 4134900
(4-Amino-2-chlorophenyl)methanol
CID 25235954
(2-Amino-6-chlorophenyl)methanol
CID 21925574
(3-Amino-4-chlorophenyl)methanol
CID 13636475
(3-Chloro-5-nitrophenyl)methanol
CID 52987794
3-Chloro-2-fluoro-5-nitrobenzenemethanol
CID 53352178
(2-Amino-4,5-dichlorophenyl)methanol
CID 100613841
(3-Amino-5-fluorophenyl)methanol
CID 112646507
(2-Chloro-5-hydrazinylphenyl)methanol
CID 117729681

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chlorophenyl)methanol?
The IUPAC name of (3-amino-5-chlorophenyl)methanol (CID 53418395) is (3-amino-5-chlorophenyl)methanol.
What is the SMILES notation for (3-amino-5-chlorophenyl)methanol?
The canonical SMILES for (3-amino-5-chlorophenyl)methanol is Nc1cc(Cl)cc(CO)c1.
What is the InChIKey of (3-amino-5-chlorophenyl)methanol?
The InChIKey is JXTKFWIYCRWWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4,9H2.
What are the key properties of (3-amino-5-chlorophenyl)methanol?
(3-amino-5-chlorophenyl)methanol has a molecular weight of 157.60 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-chlorophenyl)methanol is sourced from PubChem (CID 53418395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).