1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol

C19H19NO2S — CID 15049958

IUPAC1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCCC(O)(c1cccc(OCc2ccccc2)c1)c1nccs1
InChIInChI=1S/C19H19NO2S/c1-2-19(21,18-20-11-12-23-18)16-9-6-10-17(13-16)22-14-15-7-4-3-5-8-15/h3-13,21H,2,14H2,1H3
InChIKeyKFEFRSCGCLMNNK-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.37
Rot. Bonds6

About 1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol

1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 15049958) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID15049958
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCCC(O)(c1cccc(OCc2ccccc2)c1)c1nccs1
InChIInChI=1S/C19H19NO2S/c1-2-19(21,18-20-11-12-23-18)16-9-6-10-17(13-16)22-14-15-7-4-3-5-8-15/h3-13,21H,2,14H2,1H3
InChIKeyKFEFRSCGCLMNNK-UHFFFAOYSA-N
XLogP4.37
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
5-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]-2-(naphthalen-2-ylmethoxy)benzonitrile
CID 19773033
2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol
CID 19773121
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol
CID 118736450
2,2,2-trifluoro-1-[3-(quinolin-2-ylmethoxy)phenyl]-1-(1,3-thiazol-2-yl)ethanol
CID 19101653
3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
CID 22406587
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
CID 59734480
1-phenyl-1-(1,3-thiazol-2-yl)pent-4-en-1-ol
CID 146994174
(2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol
CID 166175292
1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene
CID 141065806
N-[2-methyl-2-(3-phenylmethoxyphenyl)propyl]propanamide
CID 118609735

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol (CID 15049958) is 1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol is CCC(O)(c1cccc(OCc2ccccc2)c1)c1nccs1.
What is the InChIKey of 1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is KFEFRSCGCLMNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-2-19(21,18-20-11-12-23-18)16-9-6-10-17(13-16)22-14-15-7-4-3-5-8-15/h3-13,21H,2,14H2,1H3.
What are the key properties of 1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol?
1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 325.43 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 15049958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).