(4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol

C21H20O2S — CID 67459729

IUPAC(4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol
SMILESCc1ccc(C(O)c2ccccc2OCc2ccccc2)c(S)c1
InChIInChI=1S/C21H20O2S/c1-15-11-12-18(20(24)13-15)21(22)17-9-5-6-10-19(17)23-14-16-7-3-2-4-8-16/h2-13,21-22,24H,14H2,1H3
InChIKeyDOOHAGKBXFLHRH-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.94
Rot. Bonds5

About (4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol

(4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol (PubChem CID 67459729) has the molecular formula C21H20O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is (4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol
PubChem CID67459729
Molecular FormulaC21H20O2S
Molecular Weight336.46 g/mol
Exact Mass336.12
IUPAC Name(4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol
SMILESCc1ccc(C(O)c2ccccc2OCc2ccccc2)c(S)c1
InChIInChI=1S/C21H20O2S/c1-15-11-12-18(20(24)13-15)21(22)17-9-5-6-10-19(17)23-14-16-7-3-2-4-8-16/h2-13,21-22,24H,14H2,1H3
InChIKeyDOOHAGKBXFLHRH-UHFFFAOYSA-N
XLogP4.94
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(5-methylfuran-2-yl)-(2-phenylmethoxyphenyl)methanol
CID 23906081
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
1-(2-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819028
(2-ethoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63893443
3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol
CID 11290507
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2-phenylmethoxyphenyl)methanol
CID 23110461
(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
CID 129384165
N-ethyl-1-(4-methyl-2-phenylmethoxyphenyl)ethanamine
CID 63640314
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(2-hydroxy-3-phenylmethoxyphenyl)methanediol
CID 155107233

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol?
The IUPAC name of (4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol (CID 67459729) is (4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol.
What is the SMILES notation for (4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol?
The canonical SMILES for (4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol is Cc1ccc(C(O)c2ccccc2OCc2ccccc2)c(S)c1.
What is the InChIKey of (4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol?
The InChIKey is DOOHAGKBXFLHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2S/c1-15-11-12-18(20(24)13-15)21(22)17-9-5-6-10-19(17)23-14-16-7-3-2-4-8-16/h2-13,21-22,24H,14H2,1H3.
What are the key properties of (4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol?
(4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol has a molecular weight of 336.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 67459729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).