(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol

C17H18O2S — CID 115838445

IUPAC(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol
SMILESCSc1ccc(C(O)c2cccc(OC3CC3)c2)cc1
InChIInChI=1S/C17H18O2S/c1-20-16-9-5-12(6-10-16)17(18)13-3-2-4-15(11-13)19-14-7-8-14/h2-6,9-11,14,17-18H,7-8H2,1H3
InChIKeyMKHMACWZQMHBLQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.03
Rot. Bonds5

About (3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol

(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol (PubChem CID 115838445) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol
PubChem CID115838445
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol
SMILESCSc1ccc(C(O)c2cccc(OC3CC3)c2)cc1
InChIInChI=1S/C17H18O2S/c1-20-16-9-5-12(6-10-16)17(18)13-3-2-4-15(11-13)19-14-7-8-14/h2-6,9-11,14,17-18H,7-8H2,1H3
InChIKeyMKHMACWZQMHBLQ-UHFFFAOYSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105341156
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
(3-cyclopropyloxyphenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 114521405
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992
(3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 114520812
(3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 114521051
(3-cyclopropyloxyphenyl)-(2,4-dimethylphenyl)methanol
CID 114520837
(2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 107469550
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
(2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838473

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol?
The IUPAC name of (3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol (CID 115838445) is (3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol is CSc1ccc(C(O)c2cccc(OC3CC3)c2)cc1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol?
The InChIKey is MKHMACWZQMHBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-20-16-9-5-12(6-10-16)17(18)13-3-2-4-15(11-13)19-14-7-8-14/h2-6,9-11,14,17-18H,7-8H2,1H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol?
(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol has a molecular weight of 286.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol is sourced from PubChem (CID 115838445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).