(1R)-1-(4-bromophenyl)prop-2-en-1-ol

C9H9BrO — CID 25140710

IUPAC(1R)-1-(4-bromophenyl)prop-2-en-1-ol
SMILESC=C[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C9H9BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,9,11H,1H2/t9-/m1/s1
InChIKeyDNFHNWHADKQZCE-SECBINFHSA-N
MW213.07 g/mol
LogP2.67
Rot. Bonds2

About (1R)-1-(4-bromophenyl)prop-2-en-1-ol

(1R)-1-(4-bromophenyl)prop-2-en-1-ol (PubChem CID 25140710) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)prop-2-en-1-ol
PubChem CID25140710
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name(1R)-1-(4-bromophenyl)prop-2-en-1-ol
SMILESC=C[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C9H9BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,9,11H,1H2/t9-/m1/s1
InChIKeyDNFHNWHADKQZCE-SECBINFHSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)prop-2-en-1-ol?
The IUPAC name of (1R)-1-(4-bromophenyl)prop-2-en-1-ol (CID 25140710) is (1R)-1-(4-bromophenyl)prop-2-en-1-ol.
What is the SMILES notation for (1R)-1-(4-bromophenyl)prop-2-en-1-ol?
The canonical SMILES for (1R)-1-(4-bromophenyl)prop-2-en-1-ol is C=C[C@@H](O)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)prop-2-en-1-ol?
The InChIKey is DNFHNWHADKQZCE-SECBINFHSA-N. The full InChI is InChI=1S/C9H9BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,9,11H,1H2/t9-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)prop-2-en-1-ol?
(1R)-1-(4-bromophenyl)prop-2-en-1-ol has a molecular weight of 213.07 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)prop-2-en-1-ol is sourced from PubChem (CID 25140710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).