2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol

C12H13ClN2O — CID 117345846

IUPAC2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol
SMILESCC(CO)c1ccc(-n2ccnc2)c(Cl)c1
InChIInChI=1S/C12H13ClN2O/c1-9(7-16)10-2-3-12(11(13)6-10)15-5-4-14-8-15/h2-6,8-9,16H,7H2,1H3
InChIKeyQZQJPUGCVVHTPR-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.62
Rot. Bonds3

About 2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol

2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol (PubChem CID 117345846) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol
PubChem CID117345846
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol
SMILESCC(CO)c1ccc(-n2ccnc2)c(Cl)c1
InChIInChI=1S/C12H13ClN2O/c1-9(7-16)10-2-3-12(11(13)6-10)15-5-4-14-8-15/h2-6,8-9,16H,7H2,1H3
InChIKeyQZQJPUGCVVHTPR-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-imidazol-1-ylphenyl)propanoic acid
CID 117380058
2-(4-imidazol-1-ylphenyl)propan-1-ol
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(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole
CID 70471993
3-(3-bromo-4-imidazol-1-ylphenyl)butan-1-amine
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1-[2-[1-(3,4-dichlorophenyl)ethylsulfanyl]phenyl]imidazole
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3-chloro-4-imidazol-1-ylbenzaldehyde
CID 23629424
1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole
CID 141434391
1-(3-chloro-4-imidazol-1-ylphenyl)-3-[(2S)-6-hydroxy-6-methylheptan-2-yl]urea
CID 125177948
2-(3-chloro-4-imidazol-1-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168607400
1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one
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1-(2-methoxy-4-propan-2-ylphenyl)imidazole
CID 59583786

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol?
The IUPAC name of 2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol (CID 117345846) is 2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol is CC(CO)c1ccc(-n2ccnc2)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol?
The InChIKey is QZQJPUGCVVHTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-9(7-16)10-2-3-12(11(13)6-10)15-5-4-14-8-15/h2-6,8-9,16H,7H2,1H3.
What are the key properties of 2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol?
2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol has a molecular weight of 236.70 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol is sourced from PubChem (CID 117345846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).