1-(4-phenylmethoxyphenyl)ethanethiol

C15H16OS — CID 43124131

IUPAC1-(4-phenylmethoxyphenyl)ethanethiol
SMILESCC(S)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H16OS/c1-12(17)14-7-9-15(10-8-14)16-11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3
InChIKeyIFGHYVJFZJBXLA-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.26
Rot. Bonds4

About 1-(4-phenylmethoxyphenyl)ethanethiol

1-(4-phenylmethoxyphenyl)ethanethiol (PubChem CID 43124131) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)ethanethiol.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)ethanethiol
PubChem CID43124131
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-(4-phenylmethoxyphenyl)ethanethiol
SMILESCC(S)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H16OS/c1-12(17)14-7-9-15(10-8-14)16-11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3
InChIKeyIFGHYVJFZJBXLA-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.26
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

N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
CID 82707269
1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
CID 23566423
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine
CID 56614966
1-(3-bromopentan-2-yl)-4-phenylmethoxybenzene
CID 79308109
2,2,2-trichloro-N-methyl-1-(4-phenylmethoxyphenyl)ethanamine
CID 70538423
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine
CID 65245145
1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene
CID 58499092
1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
CID 58914302
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)ethanethiol?
The IUPAC name of 1-(4-phenylmethoxyphenyl)ethanethiol (CID 43124131) is 1-(4-phenylmethoxyphenyl)ethanethiol.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)ethanethiol?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)ethanethiol is CC(S)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)ethanethiol?
The InChIKey is IFGHYVJFZJBXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-12(17)14-7-9-15(10-8-14)16-11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3.
What are the key properties of 1-(4-phenylmethoxyphenyl)ethanethiol?
1-(4-phenylmethoxyphenyl)ethanethiol has a molecular weight of 244.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)ethanethiol is sourced from PubChem (CID 43124131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).