(1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol

C11H11BrO — CID 102412328

IUPAC(1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol
SMILESC=CC(=C)[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h3-7,11,13H,1-2H2/t11-/m1/s1
InChIKeyVBNMJMNQGQFVFS-LLVKDONJSA-N
MW239.11 g/mol
LogP3.22
Rot. Bonds3

About (1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol

(1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol (PubChem CID 102412328) has the molecular formula C11H11BrO and a molecular weight of 239.11 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol
PubChem CID102412328
Molecular FormulaC11H11BrO
Molecular Weight239.11 g/mol
Exact Mass238.00
IUPAC Name(1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol
SMILESC=CC(=C)[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h3-7,11,13H,1-2H2/t11-/m1/s1
InChIKeyVBNMJMNQGQFVFS-LLVKDONJSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-bromophenyl)prop-2-en-1-ol
CID 25140431
3-[(4-bromophenyl)-hydroxymethyl]but-3-en-2-one
CID 11482230
(1R,2R)-1,2-bis(4-bromophenyl)ethane-1,2-diol
CID 11046931
1-(4-bromophenyl)-2-methylbut-3-en-1-ol
CID 14111207
2-(4-bromophenyl)-2-hydroxyacetate
CID 3613236
(Z)-2-[(4-bromophenyl)-hydroxymethyl]-3-hydroxyprop-2-enal
CID 177389869
1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol
CID 15807454
1-bromo-4-but-3-en-2-ylbenzene
CID 575789
1-bromo-4-(1-iodoprop-2-enyl)benzene
CID 69469784
1-bromo-4-[(2R)-but-3-en-2-yl]benzene
CID 11241287
4-bromobenzaldehyde;methyl 2-[(4-bromophenyl)-hydroxymethyl]prop-2-enoate
CID 160757288
[1-(4-bromophenyl)-2-methylidenebut-3-enoxy]-tert-butyl-diphenylsilane
CID 10435146

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol?
The IUPAC name of (1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol (CID 102412328) is (1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol?
The canonical SMILES for (1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol is C=CC(=C)[C@@H](O)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol?
The InChIKey is VBNMJMNQGQFVFS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H11BrO/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h3-7,11,13H,1-2H2/t11-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol?
(1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol has a molecular weight of 239.11 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-2-methylidenebut-3-en-1-ol is sourced from PubChem (CID 102412328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).