2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol

C11H16O2S2 — CID 123503724

IUPAC2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol
SMILESCOc1cc(SS)ccc1C(C)(C)CO
InChIInChI=1S/C11H16O2S2/c1-11(2,7-12)9-5-4-8(15-14)6-10(9)13-3/h4-6,12,14H,7H2,1-3H3
InChIKeyNITZRKPFROAMHA-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.90
Rot. Bonds4

About 2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol

2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol (PubChem CID 123503724) has the molecular formula C11H16O2S2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol
PubChem CID123503724
Molecular FormulaC11H16O2S2
Molecular Weight244.38 g/mol
Exact Mass244.06
IUPAC Name2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol
SMILESCOc1cc(SS)ccc1C(C)(C)CO
InChIInChI=1S/C11H16O2S2/c1-11(2,7-12)9-5-4-8(15-14)6-10(9)13-3/h4-6,12,14H,7H2,1-3H3
InChIKeyNITZRKPFROAMHA-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol 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

2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332372
4-(disulfanyl)-1-methoxy-2-(trifluoromethyl)benzene
CID 123568953
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 117337255
2-(2-methoxy-4-methyl-5-methylsulfanylphenyl)-2-methylpropan-1-ol
CID 117353825
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
2-(6-methoxy-1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 117321978
5-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethoxybenzoic acid
CID 117388809
2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117389312
2-butoxy-4-(disulfanyl)-1-methoxybenzene
CID 123973432
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100
2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591

Frequently Asked Questions

What is the IUPAC name of 2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol (CID 123503724) is 2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol is COc1cc(SS)ccc1C(C)(C)CO.
What is the InChIKey of 2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
The InChIKey is NITZRKPFROAMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S2/c1-11(2,7-12)9-5-4-8(15-14)6-10(9)13-3/h4-6,12,14H,7H2,1-3H3.
What are the key properties of 2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(disulfanyl)-2-methoxyphenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 123503724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).