(Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol

C13H17BrO — CID 122392628

IUPAC(Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol
SMILESCC(C)/C=C\CC(O)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrO/c1-10(2)4-3-5-13(15)11-6-8-12(14)9-7-11/h3-4,6-10,13,15H,5H2,1-2H3/b4-3-
InChIKeyCVIPCWFRTIOVHF-ARJAWSKDSA-N
MW269.18 g/mol
LogP4.08
Rot. Bonds4

About (Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol

(Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol (PubChem CID 122392628) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is (Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol.

Molecular Properties

Compound Name(Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol
PubChem CID122392628
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name(Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol
SMILESCC(C)/C=C\CC(O)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrO/c1-10(2)4-3-5-13(15)11-6-8-12(14)9-7-11/h3-4,6-10,13,15H,5H2,1-2H3/b4-3-
InChIKeyCVIPCWFRTIOVHF-ARJAWSKDSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.08
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

(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
CID 135057186
(1S)-1-(4-chlorophenyl)pent-3-en-1-ol
CID 68919875
4-(1-hydroxyhex-3-enyl)phenol
CID 175548143
1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 62608151
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63487797
(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610546
3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol
CID 63487544
3-(4-bromophenyl)-3-hydroxypropanoic acid
CID 11579638

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol?
The IUPAC name of (Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol (CID 122392628) is (Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol.
What is the SMILES notation for (Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol?
The canonical SMILES for (Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol is CC(C)/C=C\CC(O)c1ccc(Br)cc1.
What is the InChIKey of (Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol?
The InChIKey is CVIPCWFRTIOVHF-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H17BrO/c1-10(2)4-3-5-13(15)11-6-8-12(14)9-7-11/h3-4,6-10,13,15H,5H2,1-2H3/b4-3-.
What are the key properties of (Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol?
(Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol has a molecular weight of 269.18 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-bromophenyl)-5-methylhex-3-en-1-ol is sourced from PubChem (CID 122392628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).