(Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol

C12H15IOS — CID 11359552

IUPAC(Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
SMILESCCC(C)(O)/C(I)=C/Sc1ccccc1
InChIInChI=1S/C12H15IOS/c1-3-12(2,14)11(13)9-15-10-7-5-4-6-8-10/h4-9,14H,3H2,1-2H3/b11-9-
InChIKeyBDHKSSMDYBFIDN-LUAWRHEFSA-N
MW334.22 g/mol
LogP4.22
Rot. Bonds4

About (Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol

(Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol (PubChem CID 11359552) has the molecular formula C12H15IOS and a molecular weight of 334.22 g/mol. Its IUPAC name is (Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
PubChem CID11359552
Molecular FormulaC12H15IOS
Molecular Weight334.22 g/mol
Exact Mass333.99
IUPAC Name(Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
SMILESCCC(C)(O)/C(I)=C/Sc1ccccc1
InChIInChI=1S/C12H15IOS/c1-3-12(2,14)11(13)9-15-10-7-5-4-6-8-10/h4-9,14H,3H2,1-2H3/b11-9-
InChIKeyBDHKSSMDYBFIDN-LUAWRHEFSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 54.22
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-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol
CID 134996642
[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 10683046
[(Z)-2-chloro-3,3-dimethylbut-1-enyl]sulfanylbenzene
CID 125477364
(1Z)-3,7-dimethyl-1,2-bis(phenylsulfanyl)octa-1,6-dien-3-ol
CID 171377896
[(E)-but-1-enyl]sulfanylbenzene
CID 5463005
[(E)-2-ethoxy-3-methylbut-1-enyl]sulfanylbenzene
CID 171377893
diethyl 2-(phenylsulfanylmethylidene)propanedioate
CID 11208259
3-(phenylsulfanylmethyl)pentan-3-ol
CID 115919348
(1E,3E)-N,N-diethyl-3-methyl-4-phenylsulfanylbuta-1,3-dien-1-amine
CID 10490744
(E)-1-(2-tert-butylsulfanylphenyl)-3-methyl-2-phenylpent-1-en-3-ol
CID 10925866
[(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 11087266
[(E)-1-phenylsulfanylpent-1-en-2-yl] thiocyanate
CID 91715400

Frequently Asked Questions

What is the IUPAC name of (Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol?
The IUPAC name of (Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol (CID 11359552) is (Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol.
What is the SMILES notation for (Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol?
The canonical SMILES for (Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol is CCC(C)(O)/C(I)=C/Sc1ccccc1.
What is the InChIKey of (Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol?
The InChIKey is BDHKSSMDYBFIDN-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H15IOS/c1-3-12(2,14)11(13)9-15-10-7-5-4-6-8-10/h4-9,14H,3H2,1-2H3/b11-9-.
What are the key properties of (Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol?
(Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol has a molecular weight of 334.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol is sourced from PubChem (CID 11359552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).