3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol

C14H14ClNO2 — CID 113276536

IUPAC3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol
SMILESCc1cc(NCc2c(O)cccc2Cl)ccc1O
InChIInChI=1S/C14H14ClNO2/c1-9-7-10(5-6-13(9)17)16-8-11-12(15)3-2-4-14(11)18/h2-7,16-18H,8H2,1H3
InChIKeySJBUVNPCJLEWMP-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.67
Rot. Bonds3

About 3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol

3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol (PubChem CID 113276536) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol
PubChem CID113276536
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol
SMILESCc1cc(NCc2c(O)cccc2Cl)ccc1O
InChIInChI=1S/C14H14ClNO2/c1-9-7-10(5-6-13(9)17)16-8-11-12(15)3-2-4-14(11)18/h2-7,16-18H,8H2,1H3
InChIKeySJBUVNPCJLEWMP-UHFFFAOYSA-N
XLogP3.67
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[(3-iodo-4-methylanilino)methyl]phenol
CID 114318031
4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
CID 106817009
5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
CID 107700839
3-chloro-2-[(4-propan-2-yloxyanilino)methyl]phenol
CID 79479384
3-[(2-chloro-6-hydroxyphenyl)methylamino]benzoic acid
CID 114317931
2-[(1-benzothiophen-5-ylamino)methyl]-3-chlorophenol
CID 114317994
3-chloro-2-[(pyrimidin-5-ylamino)methyl]phenol
CID 107588343
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol
CID 104816016
3-chloro-2-[(4-pentylanilino)methyl]phenol
CID 114317906
N-[(2-chloro-6-nitrophenyl)methyl]-3,4-dimethylaniline
CID 63746799
3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 107097234
2-[(4-bromo-2,6-dichloroanilino)methyl]-3-chlorophenol
CID 114317923

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol?
The IUPAC name of 3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol (CID 113276536) is 3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol.
What is the SMILES notation for 3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol?
The canonical SMILES for 3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol is Cc1cc(NCc2c(O)cccc2Cl)ccc1O.
What is the InChIKey of 3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol?
The InChIKey is SJBUVNPCJLEWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-9-7-10(5-6-13(9)17)16-8-11-12(15)3-2-4-14(11)18/h2-7,16-18H,8H2,1H3.
What are the key properties of 3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol?
3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol has a molecular weight of 263.72 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol is sourced from PubChem (CID 113276536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).