2-methyl-4-phenylmethoxybenzenethiol

C14H14OS — CID 142266616

IUPAC2-methyl-4-phenylmethoxybenzenethiol
SMILESCc1cc(OCc2ccccc2)ccc1S
InChIInChI=1S/C14H14OS/c1-11-9-13(7-8-14(11)16)15-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyXUMNGAMFIYTVIQ-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.86
Rot. Bonds3

About 2-methyl-4-phenylmethoxybenzenethiol

2-methyl-4-phenylmethoxybenzenethiol (PubChem CID 142266616) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-methyl-4-phenylmethoxybenzenethiol.

Molecular Properties

Compound Name2-methyl-4-phenylmethoxybenzenethiol
PubChem CID142266616
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name2-methyl-4-phenylmethoxybenzenethiol
SMILESCc1cc(OCc2ccccc2)ccc1S
InChIInChI=1S/C14H14OS/c1-11-9-13(7-8-14(11)16)15-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyXUMNGAMFIYTVIQ-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597
(2-methyl-4-phenylmethoxyphenoxy)boronic acid
CID 142688338
1-azido-2-methyl-4-phenylmethoxybenzene
CID 151318667
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline
CID 158131264
4,4,5,5-tetramethyl-2-(2-methyl-4-phenylmethoxyphenyl)-1,3,2-dioxaborolane
CID 83137097
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
2-methyl-6-phenylmethoxyquinoline
CID 82580854

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylmethoxybenzenethiol?
The IUPAC name of 2-methyl-4-phenylmethoxybenzenethiol (CID 142266616) is 2-methyl-4-phenylmethoxybenzenethiol.
What is the SMILES notation for 2-methyl-4-phenylmethoxybenzenethiol?
The canonical SMILES for 2-methyl-4-phenylmethoxybenzenethiol is Cc1cc(OCc2ccccc2)ccc1S.
What is the InChIKey of 2-methyl-4-phenylmethoxybenzenethiol?
The InChIKey is XUMNGAMFIYTVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-11-9-13(7-8-14(11)16)15-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3.
What are the key properties of 2-methyl-4-phenylmethoxybenzenethiol?
2-methyl-4-phenylmethoxybenzenethiol has a molecular weight of 230.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylmethoxybenzenethiol is sourced from PubChem (CID 142266616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).