1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol

C15H21FOS — CID 105131232

IUPAC1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
SMILESCc1cc(F)ccc1CC(O)CC1CCSCC1
InChIInChI=1S/C15H21FOS/c1-11-8-14(16)3-2-13(11)10-15(17)9-12-4-6-18-7-5-12/h2-3,8,12,15,17H,4-7,9-10H2,1H3
InChIKeyRUOLRFRTMXHDFG-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.57
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol

1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol (PubChem CID 105131232) has the molecular formula C15H21FOS and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
PubChem CID105131232
Molecular FormulaC15H21FOS
Molecular Weight268.40 g/mol
Exact Mass268.13
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
SMILESCc1cc(F)ccc1CC(O)CC1CCSCC1
InChIInChI=1S/C15H21FOS/c1-11-8-14(16)3-2-13(11)10-15(17)9-12-4-6-18-7-5-12/h2-3,8,12,15,17H,4-7,9-10H2,1H3
InChIKeyRUOLRFRTMXHDFG-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105377602
1-(2,3-difluoro-4-methylphenyl)-2-(thian-4-yl)ethanol
CID 107516261
1-cyclopentyl-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346848
1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol
CID 64560809
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
N-[(4-fluoro-2-methylphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295164
1-(5-chloro-2-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105089308
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105188273
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105133234
1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol
CID 105131331
1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105084457
1-(2-bromo-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105136332

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol (CID 105131232) is 1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol is Cc1cc(F)ccc1CC(O)CC1CCSCC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol?
The InChIKey is RUOLRFRTMXHDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FOS/c1-11-8-14(16)3-2-13(11)10-15(17)9-12-4-6-18-7-5-12/h2-3,8,12,15,17H,4-7,9-10H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol?
1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol has a molecular weight of 268.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol is sourced from PubChem (CID 105131232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).