(4-amino-2-chloro-5-methoxyphenyl)methanol

C8H10ClNO2 — CID 96834541

IUPAC(4-amino-2-chloro-5-methoxyphenyl)methanol
SMILESCOc1cc(CO)c(Cl)cc1N
InChIInChI=1S/C8H10ClNO2/c1-12-8-2-5(4-11)6(9)3-7(8)10/h2-3,11H,4,10H2,1H3
InChIKeyXODWLQCTXSOTST-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.42
Rot. Bonds2

About (4-amino-2-chloro-5-methoxyphenyl)methanol

(4-amino-2-chloro-5-methoxyphenyl)methanol (PubChem CID 96834541) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is (4-amino-2-chloro-5-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-amino-2-chloro-5-methoxyphenyl)methanol
PubChem CID96834541
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name(4-amino-2-chloro-5-methoxyphenyl)methanol
SMILESCOc1cc(CO)c(Cl)cc1N
InChIInChI=1S/C8H10ClNO2/c1-12-8-2-5(4-11)6(9)3-7(8)10/h2-3,11H,4,10H2,1H3
InChIKeyXODWLQCTXSOTST-UHFFFAOYSA-N
XLogP1.42
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-4-chloro-5-methoxyphenyl)methanol
CID 130139409
(5-amino-2-fluoro-4-methoxyphenyl)methanol
CID 170335540
(5-chloro-2-ethyl-4-methoxyphenyl)methanol
CID 84669748
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid
CID 97179048
4-(4-amino-2-chloro-5-methoxyphenyl)-5-chloro-2-methoxyaniline;4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
CID 118162049
2-chloro-5-methoxy-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54032840
4-[2-[benzyl(methyl)amino]ethyl]-5-chloro-2-methoxyaniline
CID 89431983
5-bromo-4-chloro-2-methoxyaniline
CID 75537158
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
4-butoxy-5-chloro-2-methoxyaniline
CID 131848144
[4-amino-2-chloro-5-(trifluoromethyl)phenyl]methanol
CID 118806771

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chloro-5-methoxyphenyl)methanol?
The IUPAC name of (4-amino-2-chloro-5-methoxyphenyl)methanol (CID 96834541) is (4-amino-2-chloro-5-methoxyphenyl)methanol.
What is the SMILES notation for (4-amino-2-chloro-5-methoxyphenyl)methanol?
The canonical SMILES for (4-amino-2-chloro-5-methoxyphenyl)methanol is COc1cc(CO)c(Cl)cc1N.
What is the InChIKey of (4-amino-2-chloro-5-methoxyphenyl)methanol?
The InChIKey is XODWLQCTXSOTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-12-8-2-5(4-11)6(9)3-7(8)10/h2-3,11H,4,10H2,1H3.
What are the key properties of (4-amino-2-chloro-5-methoxyphenyl)methanol?
(4-amino-2-chloro-5-methoxyphenyl)methanol has a molecular weight of 187.63 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chloro-5-methoxyphenyl)methanol is sourced from PubChem (CID 96834541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).