(4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol

C14H20O2S — CID 80621973

IUPAC(4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol
SMILESCC(C)Oc1ccc(C(O)C2CCCS2)cc1
InChIInChI=1S/C14H20O2S/c1-10(2)16-12-7-5-11(6-8-12)14(15)13-4-3-9-17-13/h5-8,10,13-15H,3-4,9H2,1-2H3
InChIKeyMMHUHUYRLDTTPI-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.40
Rot. Bonds4

About (4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol

(4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol (PubChem CID 80621973) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol
PubChem CID80621973
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name(4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol
SMILESCC(C)Oc1ccc(C(O)C2CCCS2)cc1
InChIInChI=1S/C14H20O2S/c1-10(2)16-12-7-5-11(6-8-12)14(15)13-4-3-9-17-13/h5-8,10,13-15H,3-4,9H2,1-2H3
InChIKeyMMHUHUYRLDTTPI-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl)-(thian-2-yl)methanol
CID 80622350
oxan-2-yl-(4-propan-2-yloxyphenyl)methanol
CID 62215174
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine
CID 80622143
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
(4-propan-2-yloxyphenyl)-(thian-2-yl)methanone
CID 80622537
1-[chloro(cyclobutyl)methyl]-4-propan-2-yloxybenzene
CID 61085826
3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 82073844
2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol
CID 80621626
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255443
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(3-propan-2-yloxyphenyl)-(thian-3-yl)methanol
CID 114283109

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol?
The IUPAC name of (4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol (CID 80621973) is (4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol.
What is the SMILES notation for (4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol?
The canonical SMILES for (4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol is CC(C)Oc1ccc(C(O)C2CCCS2)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol?
The InChIKey is MMHUHUYRLDTTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-10(2)16-12-7-5-11(6-8-12)14(15)13-4-3-9-17-13/h5-8,10,13-15H,3-4,9H2,1-2H3.
What are the key properties of (4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol?
(4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol has a molecular weight of 252.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol is sourced from PubChem (CID 80621973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).