4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol

C18H22O3S — CID 140535933

IUPAC4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol
SMILESCOCOc1ccc(Cc2ccc(O)cc2)cc1SC(C)C
InChIInChI=1S/C18H22O3S/c1-13(2)22-18-11-15(6-9-17(18)21-12-20-3)10-14-4-7-16(19)8-5-14/h4-9,11,13,19H,10,12H2,1-3H3
InChIKeyXJENJTMSQKJHMK-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.47
Rot. Bonds7

About 4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol

4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol (PubChem CID 140535933) has the molecular formula C18H22O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol
PubChem CID140535933
Molecular FormulaC18H22O3S
Molecular Weight318.44 g/mol
Exact Mass318.13
IUPAC Name4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol
SMILESCOCOc1ccc(Cc2ccc(O)cc2)cc1SC(C)C
InChIInChI=1S/C18H22O3S/c1-13(2)22-18-11-15(6-9-17(18)21-12-20-3)10-14-4-7-16(19)8-5-14/h4-9,11,13,19H,10,12H2,1-3H3
InChIKeyXJENJTMSQKJHMK-UHFFFAOYSA-N
XLogP4.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol?
The IUPAC name of 4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol (CID 140535933) is 4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol.
What is the SMILES notation for 4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol?
The canonical SMILES for 4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol is COCOc1ccc(Cc2ccc(O)cc2)cc1SC(C)C.
What is the InChIKey of 4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol?
The InChIKey is XJENJTMSQKJHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3S/c1-13(2)22-18-11-15(6-9-17(18)21-12-20-3)10-14-4-7-16(19)8-5-14/h4-9,11,13,19H,10,12H2,1-3H3.
What are the key properties of 4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol?
4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol has a molecular weight of 318.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethoxy)-3-propan-2-ylsulfanylphenyl]methyl]phenol is sourced from PubChem (CID 140535933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).