(Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol

C14H19IOS — CID 134996642

IUPAC(Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol
SMILESCC(C)(C)C(C)(O)/C(I)=C/Sc1ccccc1
InChIInChI=1S/C14H19IOS/c1-13(2,3)14(4,16)12(15)10-17-11-8-6-5-7-9-11/h5-10,16H,1-4H3/b12-10-
InChIKeyRJXDMLBHKMAONI-BENRWUELSA-N
MW362.28 g/mol
LogP4.85
Rot. Bonds3

About (Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol

(Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol (PubChem CID 134996642) has the molecular formula C14H19IOS and a molecular weight of 362.28 g/mol. Its IUPAC name is (Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol
PubChem CID134996642
Molecular FormulaC14H19IOS
Molecular Weight362.28 g/mol
Exact Mass362.02
IUPAC Name(Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol
SMILESCC(C)(C)C(C)(O)/C(I)=C/Sc1ccccc1
InChIInChI=1S/C14H19IOS/c1-13(2,3)14(4,16)12(15)10-17-11-8-6-5-7-9-11/h5-10,16H,1-4H3/b12-10-
InChIKeyRJXDMLBHKMAONI-BENRWUELSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11359552
[(Z)-2-chloro-3,3-dimethylbut-1-enyl]sulfanylbenzene
CID 125477364
[(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 11087266
(1Z)-3,7-dimethyl-1,2-bis(phenylsulfanyl)octa-1,6-dien-3-ol
CID 171377896
[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 10683046
(Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one
CID 10934787
2-nitroprop-1-enylsulfanylbenzene
CID 73110356
(Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11173710
[(E)-2-methyl-4-phenylsulfanylbut-3-en-2-yl]sulfanylbenzene
CID 11808288
[(E)-but-1-enyl]sulfanylbenzene
CID 5463005
N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine
CID 5246314
[(1Z,6Z)-1,6,7-tris(phenylsulfanyl)hepta-1,6-dien-2-yl]sulfanylbenzene
CID 11364539

Frequently Asked Questions

What is the IUPAC name of (Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol?
The IUPAC name of (Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol (CID 134996642) is (Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol.
What is the SMILES notation for (Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol?
The canonical SMILES for (Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol is CC(C)(C)C(C)(O)/C(I)=C/Sc1ccccc1.
What is the InChIKey of (Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol?
The InChIKey is RJXDMLBHKMAONI-BENRWUELSA-N. The full InChI is InChI=1S/C14H19IOS/c1-13(2,3)14(4,16)12(15)10-17-11-8-6-5-7-9-11/h5-10,16H,1-4H3/b12-10-.
What are the key properties of (Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol?
(Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol has a molecular weight of 362.28 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-iodo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol is sourced from PubChem (CID 134996642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).