4-(1-chloro-2-phenylethyl)phenol;sulfane

C14H15ClOS — CID 67803217

IUPAC4-(1-chloro-2-phenylethyl)phenol;sulfane
SMILESOc1ccc(C(Cl)Cc2ccccc2)cc1.S
InChIInChI=1S/C14H13ClO.H2S/c15-14(10-11-4-2-1-3-5-11)12-6-8-13(16)9-7-12;/h1-9,14,16H,10H2;1H2
InChIKeyHIZTZFAMSRCICL-UHFFFAOYSA-N
MW266.79 g/mol
LogP4.03
Rot. Bonds3

About 4-(1-chloro-2-phenylethyl)phenol;sulfane

4-(1-chloro-2-phenylethyl)phenol;sulfane (PubChem CID 67803217) has the molecular formula C14H15ClOS and a molecular weight of 266.79 g/mol. Its IUPAC name is 4-(1-chloro-2-phenylethyl)phenol;sulfane.

Molecular Properties

Compound Name4-(1-chloro-2-phenylethyl)phenol;sulfane
PubChem CID67803217
Molecular FormulaC14H15ClOS
Molecular Weight266.79 g/mol
Exact Mass266.05
IUPAC Name4-(1-chloro-2-phenylethyl)phenol;sulfane
SMILESOc1ccc(C(Cl)Cc2ccccc2)cc1.S
InChIInChI=1S/C14H13ClO.H2S/c15-14(10-11-4-2-1-3-5-11)12-6-8-13(16)9-7-12;/h1-9,14,16H,10H2;1H2
InChIKeyHIZTZFAMSRCICL-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-chloro-2-phenylethyl)-4-phenylbenzene
CID 21425464
1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene
CID 61085744
4-(1-phenyl-3-sulfanylpropan-2-yl)phenol;hydrochloride
CID 173351855
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
CID 529342
4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
CID 13030783
4-[3-(4-hydroxyphenyl)-2,3-diphenylpropyl]phenol
CID 70441435
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
2-tert-butyl-4-(1-chloro-2-phenylethyl)-6-methylphenol;sulfane
CID 174778853
3-(1-chloro-2-phenylethyl)benzoic acid
CID 50887894
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol
CID 168874199
bis(benzene-1,4-diol);benzylbenzene
CID 159915102

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-2-phenylethyl)phenol;sulfane?
The IUPAC name of 4-(1-chloro-2-phenylethyl)phenol;sulfane (CID 67803217) is 4-(1-chloro-2-phenylethyl)phenol;sulfane.
What is the SMILES notation for 4-(1-chloro-2-phenylethyl)phenol;sulfane?
The canonical SMILES for 4-(1-chloro-2-phenylethyl)phenol;sulfane is Oc1ccc(C(Cl)Cc2ccccc2)cc1.S.
What is the InChIKey of 4-(1-chloro-2-phenylethyl)phenol;sulfane?
The InChIKey is HIZTZFAMSRCICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO.H2S/c15-14(10-11-4-2-1-3-5-11)12-6-8-13(16)9-7-12;/h1-9,14,16H,10H2;1H2.
What are the key properties of 4-(1-chloro-2-phenylethyl)phenol;sulfane?
4-(1-chloro-2-phenylethyl)phenol;sulfane has a molecular weight of 266.79 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-2-phenylethyl)phenol;sulfane is sourced from PubChem (CID 67803217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).