1-(3-bromophenyl)-3-methylidenepentan-1-ol

C12H15BrO — CID 66044340

IUPAC1-(3-bromophenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1cccc(Br)c1
InChIInChI=1S/C12H15BrO/c1-3-9(2)7-12(14)10-5-4-6-11(13)8-10/h4-6,8,12,14H,2-3,7H2,1H3
InChIKeyWZCTZEWUSDIHDG-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.84
Rot. Bonds4

About 1-(3-bromophenyl)-3-methylidenepentan-1-ol

1-(3-bromophenyl)-3-methylidenepentan-1-ol (PubChem CID 66044340) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-methylidenepentan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-methylidenepentan-1-ol
PubChem CID66044340
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-(3-bromophenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1cccc(Br)c1
InChIInChI=1S/C12H15BrO/c1-3-9(2)7-12(14)10-5-4-6-11(13)8-10/h4-6,8,12,14H,2-3,7H2,1H3
InChIKeyWZCTZEWUSDIHDG-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.84
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

1-(3-bromo-5-fluorophenyl)-3-methylidenepentan-1-ol
CID 66426020
1-(3-bromophenyl)butan-1-ol
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1-(3-bromophenyl)-4-methylidenehexan-2-ol
CID 66045073
(3S)-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 11673188
3-(3-bromophenyl)-N,3-dihydroxy-N-methylpropanamide
CID 155534689
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
2-(3-bromophenyl)pentan-3-ol
CID 79298699
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110
ethyl 5-(3-bromophenyl)-5-hydroxy-3-oxopentanoate
CID 71472878
1-(3-bromophenyl)-2-(dipropylamino)ethanol
CID 82216690
1-(3-bromophenyl)pent-4-en-1-ol
CID 14665893

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-methylidenepentan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-methylidenepentan-1-ol (CID 66044340) is 1-(3-bromophenyl)-3-methylidenepentan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-methylidenepentan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-methylidenepentan-1-ol is C=C(CC)CC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-methylidenepentan-1-ol?
The InChIKey is WZCTZEWUSDIHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-3-9(2)7-12(14)10-5-4-6-11(13)8-10/h4-6,8,12,14H,2-3,7H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-methylidenepentan-1-ol?
1-(3-bromophenyl)-3-methylidenepentan-1-ol has a molecular weight of 255.15 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-methylidenepentan-1-ol is sourced from PubChem (CID 66044340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).