1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol

C13H16ClFO — CID 104656406

IUPAC1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H16ClFO/c1-3-4-8-13(2,16)9-10-11(14)6-5-7-12(10)15/h3,5-7,16H,1,4,8-9H2,2H3
InChIKeyBEOIZUPLCCJRHS-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.74
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol

1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol (PubChem CID 104656406) has the molecular formula C13H16ClFO and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol
PubChem CID104656406
Molecular FormulaC13H16ClFO
Molecular Weight242.72 g/mol
Exact Mass242.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H16ClFO/c1-3-4-8-13(2,16)9-10-11(14)6-5-7-12(10)15/h3,5-7,16H,1,4,8-9H2,2H3
InChIKeyBEOIZUPLCCJRHS-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.74
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-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol
CID 107307645
1-(2-bromo-3-fluorophenyl)-2-methylhex-5-en-2-ol
CID 104656402
2-[(2-chloro-6-fluorophenyl)methyl]-2-methylbut-3-enoic acid
CID 102639801
2-(2,6-difluorophenyl)hex-5-en-2-ol
CID 104656171
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832731
3-amino-2-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899828
3,3-bis[(2-chloro-6-fluorophenyl)methyl]pentane-2,4-dione
CID 1488014
4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075778
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
2-(4-bromophenyl)-1-(2-chloro-6-fluorophenyl)propan-2-ol
CID 63406670
(2S)-2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42329945

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol (CID 104656406) is 1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol is C=CCCC(C)(O)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol?
The InChIKey is BEOIZUPLCCJRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO/c1-3-4-8-13(2,16)9-10-11(14)6-5-7-12(10)15/h3,5-7,16H,1,4,8-9H2,2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol?
1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol has a molecular weight of 242.72 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol is sourced from PubChem (CID 104656406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).