(3-propan-2-yloxyphenyl)-(thian-3-yl)methanol

C15H22O2S — CID 114283109

IUPAC(3-propan-2-yloxyphenyl)-(thian-3-yl)methanol
SMILESCC(C)Oc1cccc(C(O)C2CCCSC2)c1
InChIInChI=1S/C15H22O2S/c1-11(2)17-14-7-3-5-12(9-14)15(16)13-6-4-8-18-10-13/h3,5,7,9,11,13,15-16H,4,6,8,10H2,1-2H3
InChIKeyBPKNNICPEYHNMN-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.65
Rot. Bonds4

About (3-propan-2-yloxyphenyl)-(thian-3-yl)methanol

(3-propan-2-yloxyphenyl)-(thian-3-yl)methanol (PubChem CID 114283109) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is (3-propan-2-yloxyphenyl)-(thian-3-yl)methanol.

Molecular Properties

Compound Name(3-propan-2-yloxyphenyl)-(thian-3-yl)methanol
PubChem CID114283109
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name(3-propan-2-yloxyphenyl)-(thian-3-yl)methanol
SMILESCC(C)Oc1cccc(C(O)C2CCCSC2)c1
InChIInChI=1S/C15H22O2S/c1-11(2)17-14-7-3-5-12(9-14)15(16)13-6-4-8-18-10-13/h3,5,7,9,11,13,15-16H,4,6,8,10H2,1-2H3
InChIKeyBPKNNICPEYHNMN-UHFFFAOYSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146
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(4-chloro-3-methoxyphenyl)-(thian-3-yl)methanol
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(1S)-1-(3-propan-2-yloxyphenyl)ethanol
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3-[1-(thian-3-yl)ethyl]phenol
CID 115033656
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(thiolan-2-yl)methanamine
CID 80622143
methyl 2-hydroxy-2-[3-(thian-3-yloxy)phenyl]acetate
CID 117453854
2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
CID 115347510
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
3-methyl-1-(3-propan-2-yloxyphenyl)butane-1,2-diol
CID 103456619
1,4-dithian-2-yl-(3-methoxyphenyl)methanol
CID 79972446

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxyphenyl)-(thian-3-yl)methanol?
The IUPAC name of (3-propan-2-yloxyphenyl)-(thian-3-yl)methanol (CID 114283109) is (3-propan-2-yloxyphenyl)-(thian-3-yl)methanol.
What is the SMILES notation for (3-propan-2-yloxyphenyl)-(thian-3-yl)methanol?
The canonical SMILES for (3-propan-2-yloxyphenyl)-(thian-3-yl)methanol is CC(C)Oc1cccc(C(O)C2CCCSC2)c1.
What is the InChIKey of (3-propan-2-yloxyphenyl)-(thian-3-yl)methanol?
The InChIKey is BPKNNICPEYHNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-11(2)17-14-7-3-5-12(9-14)15(16)13-6-4-8-18-10-13/h3,5,7,9,11,13,15-16H,4,6,8,10H2,1-2H3.
What are the key properties of (3-propan-2-yloxyphenyl)-(thian-3-yl)methanol?
(3-propan-2-yloxyphenyl)-(thian-3-yl)methanol has a molecular weight of 266.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxyphenyl)-(thian-3-yl)methanol is sourced from PubChem (CID 114283109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).