4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol

C14H17ClN2O2 — CID 141049250

IUPAC4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol
SMILESCCC(Cn1ccnc1)C(O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H17ClN2O2/c1-2-10(8-17-6-5-16-9-17)14(19)12-7-11(15)3-4-13(12)18/h3-7,9-10,14,18-19H,2,8H2,1H3
InChIKeyFLUGMAXIEVXRHA-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.00
Rot. Bonds5

About 4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol

4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol (PubChem CID 141049250) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol
PubChem CID141049250
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol
SMILESCCC(Cn1ccnc1)C(O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H17ClN2O2/c1-2-10(8-17-6-5-16-9-17)14(19)12-7-11(15)3-4-13(12)18/h3-7,9-10,14,18-19H,2,8H2,1H3
InChIKeyFLUGMAXIEVXRHA-UHFFFAOYSA-N
XLogP3.00
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760611
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-(2-ethyl-3-methylbutyl)imidazole
CID 170019524
1-(5-chloro-2-methylphenyl)-2-ethylbutan-1-ol
CID 115821957
1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol
CID 61463037
1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
CID 21402411
2-(aminomethyl)-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 82891206
1-[2-(2,4-dichlorophenyl)-2-(2-methylprop-2-enoxy)ethyl]imidazole
CID 3009144
1-(2-chlorophenyl)-2-imidazol-1-ylethanol
CID 12760607
2-[1-(2-imidazol-1-ylethylamino)ethyl]benzene-1,4-diol
CID 61325507
1-imidazol-1-yl-3-methylbutan-2-ol
CID 22324700
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] carbamothioate
CID 140542063

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol?
The IUPAC name of 4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol (CID 141049250) is 4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol?
The canonical SMILES for 4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol is CCC(Cn1ccnc1)C(O)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol?
The InChIKey is FLUGMAXIEVXRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-2-10(8-17-6-5-16-9-17)14(19)12-7-11(15)3-4-13(12)18/h3-7,9-10,14,18-19H,2,8H2,1H3.
What are the key properties of 4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol?
4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol has a molecular weight of 280.75 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-hydroxy-2-(imidazol-1-ylmethyl)butyl]phenol is sourced from PubChem (CID 141049250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).