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

C14H19BrOS — CID 11461194

IUPAC(Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol
SMILESCC(C)(C)C(C)(O)/C(Br)=C/Sc1ccccc1
InChIInChI=1S/C14H19BrOS/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-
InChIKeyWRABFMMYGQRDRJ-BENRWUELSA-N
MW315.28 g/mol
LogP4.81
Rot. Bonds3

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

(Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol (PubChem CID 11461194) has the molecular formula C14H19BrOS and a molecular weight of 315.28 g/mol. Its IUPAC name is (Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol
PubChem CID11461194
Molecular FormulaC14H19BrOS
Molecular Weight315.28 g/mol
Exact Mass314.03
IUPAC Name(Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol
SMILESCC(C)(C)C(C)(O)/C(Br)=C/Sc1ccccc1
InChIInChI=1S/C14H19BrOS/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-
InChIKeyWRABFMMYGQRDRJ-BENRWUELSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol
CID 10943381
2-Methyl-1-phenylsulfanylbut-3-en-2-ol
CID 12697567
(1E,3S)-3,7-dimethyl-1-phenylsulfanylocta-1,6-dien-3-ol
CID 11086581
(Z)-2-bromo-4-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11173710
(Z)-2-bromo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11231510
(Z)-3-bromo-4-phenylsulfanylbut-3-en-2-ol
CID 11253933
(Z)-2-bromo-3-ethyl-1-phenylsulfanylpent-1-en-3-ol
CID 11266584
5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol
CID 11279764
(Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11359552
(Z)-2-bromo-3,5-dimethyl-1-phenylsulfanylhex-1-en-3-ol
CID 11427034
(Z)-3-bromo-2-methyl-4-phenylsulfanylbut-3-en-2-ol
CID 11471287
6-[(Z)-1-bromo-2-phenylsulfanylethenyl]undecan-6-ol
CID 11474616

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol?
The IUPAC name of (Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol (CID 11461194) is (Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol.
What is the SMILES notation for (Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol?
The canonical SMILES for (Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol is CC(C)(C)C(C)(O)/C(Br)=C/Sc1ccccc1.
What is the InChIKey of (Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol?
The InChIKey is WRABFMMYGQRDRJ-BENRWUELSA-N. The full InChI is InChI=1S/C14H19BrOS/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-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol?
(Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol has a molecular weight of 315.28 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-3,4,4-trimethyl-1-phenylsulfanylpent-1-en-3-ol is sourced from PubChem (CID 11461194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).