(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol

C14H19BrO — CID 46217912

IUPAC(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol
SMILESC=C[C@](C)(CC)[C@@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrO/c1-5-13(3,6-2)14(4,16)11-7-9-12(15)10-8-11/h5,7-10,16H,1,6H2,2-4H3/t13-,14+/m1/s1
InChIKeyWZSVPYBYHZGQML-KGLIPLIRSA-N
MW283.21 g/mol
LogP4.26
Rot. Bonds4

About (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol

(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol (PubChem CID 46217912) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol
PubChem CID46217912
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol
SMILESC=C[C@](C)(CC)[C@@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrO/c1-5-13(3,6-2)14(4,16)11-7-9-12(15)10-8-11/h5,7-10,16H,1,6H2,2-4H3/t13-,14+/m1/s1
InChIKeyWZSVPYBYHZGQML-KGLIPLIRSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79126815
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
1-bromo-4-[(3S)-3-methylhexa-1,5-dien-3-yl]benzene
CID 138969388
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
(2S)-2-(4-bromophenyl)-2-methylbutanenitrile
CID 129390929
2-(4-bromophenyl)-1,1,1-trifluorobut-3-en-2-ol
CID 170770730
2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926
(2R)-2-(4-bromophenyl)-2-ethylpent-4-enal
CID 138970188
2-(4-bromophenyl)-2-ethylbutanal
CID 86672302
ethyl 3-(4-bromophenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397381
1-bromo-4-(1,1-difluoroprop-2-enyl)benzene
CID 125480479

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol?
The IUPAC name of (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol (CID 46217912) is (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol.
What is the SMILES notation for (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol?
The canonical SMILES for (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol is C=C[C@](C)(CC)[C@@](C)(O)c1ccc(Br)cc1.
What is the InChIKey of (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol?
The InChIKey is WZSVPYBYHZGQML-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H19BrO/c1-5-13(3,6-2)14(4,16)11-7-9-12(15)10-8-11/h5,7-10,16H,1,6H2,2-4H3/t13-,14+/m1/s1.
What are the key properties of (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol?
(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol has a molecular weight of 283.21 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol is sourced from PubChem (CID 46217912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).