1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol

C13H17ClO2 — CID 105127338

IUPAC1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol
SMILESC=C(C)CCC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClO2/c1-10(2)3-6-12(15)9-16-13-7-4-11(14)5-8-13/h4-5,7-8,12,15H,1,3,6,9H2,2H3
InChIKeySIYPJIXHNZMJIG-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.44
Rot. Bonds6

About 1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol

1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol (PubChem CID 105127338) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol
PubChem CID105127338
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol
SMILESC=C(C)CCC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClO2/c1-10(2)3-6-12(15)9-16-13-7-4-11(14)5-8-13/h4-5,7-8,12,15H,1,3,6,9H2,2H3
InChIKeySIYPJIXHNZMJIG-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine
CID 105182676
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
CID 11255678
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 4751881
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
CID 105077329
1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103027979
1-(4-chlorophenoxy)-3-(3-ethyl-2H-imidazol-1-yl)propan-2-ol
CID 121335161
1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol
CID 105079601
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
1-(4-chlorophenoxy)-3-(octan-4-ylamino)propan-2-ol
CID 106024294
1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol
CID 14422864

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol (CID 105127338) is 1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol is C=C(C)CCC(O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol?
The InChIKey is SIYPJIXHNZMJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-10(2)3-6-12(15)9-16-13-7-4-11(14)5-8-13/h4-5,7-8,12,15H,1,3,6,9H2,2H3.
What are the key properties of 1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol?
1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol has a molecular weight of 240.73 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol is sourced from PubChem (CID 105127338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).