1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol

C13H16Cl2O — CID 107307645

IUPAC1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2O/c1-3-4-8-13(2,16)9-10-6-5-7-11(14)12(10)15/h3,5-7,16H,1,4,8-9H2,2H3
InChIKeyOKQNKVAXWOFTID-UHFFFAOYSA-N
MW259.18 g/mol
LogP4.25
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol

1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol (PubChem CID 107307645) has the molecular formula C13H16Cl2O and a molecular weight of 259.18 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol
PubChem CID107307645
Molecular FormulaC13H16Cl2O
Molecular Weight259.18 g/mol
Exact Mass258.06
IUPAC Name1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2O/c1-3-4-8-13(2,16)9-10-6-5-7-11(14)12(10)15/h3,5-7,16H,1,4,8-9H2,2H3
InChIKeyOKQNKVAXWOFTID-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 54.25
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-chloro-6-fluorophenyl)-2-methylhex-5-en-2-ol
CID 104656406
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
1-(2-bromo-3-fluorophenyl)-2-methylhex-5-en-2-ol
CID 104656402
1-(3-chlorophenyl)-2-methylhex-5-en-2-ol
CID 104656378
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 107307675
2-[(2,3-dichlorophenyl)methyl]-2-methylbut-3-en-1-ol
CID 107310753
3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol
CID 112743445
N-tert-butyl-2-[(2,3-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 107309854
1-(2,3-dichlorophenyl)-2-phenylpropan-2-amine
CID 107307722
2-(3-chlorophenyl)-1-(2,3-dichlorophenyl)propan-2-ol
CID 107307348
1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one
CID 130757125
4-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutanal
CID 112653106

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol (CID 107307645) is 1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol is C=CCCC(C)(O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol?
The InChIKey is OKQNKVAXWOFTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O/c1-3-4-8-13(2,16)9-10-6-5-7-11(14)12(10)15/h3,5-7,16H,1,4,8-9H2,2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol?
1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol has a molecular weight of 259.18 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-methylhex-5-en-2-ol is sourced from PubChem (CID 107307645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).