4-(2-chloro-4-ethylphenyl)sulfanylphenol

C14H13ClOS — CID 91879878

IUPAC4-(2-chloro-4-ethylphenyl)sulfanylphenol
SMILESCCc1ccc(Sc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C14H13ClOS/c1-2-10-3-8-14(13(15)9-10)17-12-6-4-11(16)5-7-12/h3-9,16H,2H2,1H3
InChIKeyOFVBDPFIVODFGY-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.76
Rot. Bonds3

About 4-(2-chloro-4-ethylphenyl)sulfanylphenol

4-(2-chloro-4-ethylphenyl)sulfanylphenol (PubChem CID 91879878) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is 4-(2-chloro-4-ethylphenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(2-chloro-4-ethylphenyl)sulfanylphenol
PubChem CID91879878
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name4-(2-chloro-4-ethylphenyl)sulfanylphenol
SMILESCCc1ccc(Sc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C14H13ClOS/c1-2-10-3-8-14(13(15)9-10)17-12-6-4-11(16)5-7-12/h3-9,16H,2H2,1H3
InChIKeyOFVBDPFIVODFGY-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-diethylphenyl)sulfanylphenol
CID 91879872
3-chloro-4-(4-ethylphenyl)sulfanylbenzoic acid
CID 91878865
4-(4-amino-2-chlorophenyl)sulfanylphenol
CID 91879703
2-chloro-1-(disulfanyl)-4-ethylbenzene
CID 166718430
[3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine
CID 63088855
1-[3-chloro-4-(4-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 81160027
N-[[3-chloro-4-(3,4-dichlorophenyl)sulfanylphenyl]methyl]ethanamine
CID 81160116
2-[3-chloro-4-(4-ethoxycarbonylphenyl)sulfanylphenyl]acetic acid
CID 91879286
4-ethyl-2-(4-methylphenyl)sulfanylphenol
CID 22763953
5-chloro-2-(4-ethylphenyl)sulfanylaniline
CID 91877108
4-(2-chloro-4-hydroxyphenyl)sulfanylbenzoic acid
CID 91879639
5-bromo-2-(4-ethylphenyl)sulfanylphenol
CID 91877717

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-ethylphenyl)sulfanylphenol?
The IUPAC name of 4-(2-chloro-4-ethylphenyl)sulfanylphenol (CID 91879878) is 4-(2-chloro-4-ethylphenyl)sulfanylphenol.
What is the SMILES notation for 4-(2-chloro-4-ethylphenyl)sulfanylphenol?
The canonical SMILES for 4-(2-chloro-4-ethylphenyl)sulfanylphenol is CCc1ccc(Sc2ccc(O)cc2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-ethylphenyl)sulfanylphenol?
The InChIKey is OFVBDPFIVODFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOS/c1-2-10-3-8-14(13(15)9-10)17-12-6-4-11(16)5-7-12/h3-9,16H,2H2,1H3.
What are the key properties of 4-(2-chloro-4-ethylphenyl)sulfanylphenol?
4-(2-chloro-4-ethylphenyl)sulfanylphenol has a molecular weight of 264.78 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-ethylphenyl)sulfanylphenol is sourced from PubChem (CID 91879878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).