ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol

C16H25FO2 — CID 142043711

IUPACethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol
SMILESC=C.CCC(C)CC[C@@H](O)COc1ccccc1F
InChIInChI=1S/C14H21FO2.C2H4/c1-3-11(2)8-9-12(16)10-17-14-7-5-4-6-13(14)15;1-2/h4-7,11-12,16H,3,8-10H2,1-2H3;1-2H2/t11?,12-;/m1./s1
InChIKeyXRXHHAGMBWZJSY-ALGPSANZSA-N
MW268.37 g/mol
LogP4.19
Rot. Bonds7

About ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol

ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol (PubChem CID 142043711) has the molecular formula C16H25FO2 and a molecular weight of 268.37 g/mol. Its IUPAC name is ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol.

Molecular Properties

Compound Nameethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol
PubChem CID142043711
Molecular FormulaC16H25FO2
Molecular Weight268.37 g/mol
Exact Mass268.18
IUPAC Nameethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol
SMILESC=C.CCC(C)CC[C@@H](O)COc1ccccc1F
InChIInChI=1S/C14H21FO2.C2H4/c1-3-11(2)8-9-12(16)10-17-14-7-5-4-6-13(14)15;1-2/h4-7,11-12,16H,3,8-10H2,1-2H3;1-2H2/t11?,12-;/m1./s1
InChIKeyXRXHHAGMBWZJSY-ALGPSANZSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 54.19
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-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
CID 45496401
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 103461242
1-(2-ethoxyphenoxy)butan-2-ol
CID 60878017
2-(2-hydroxybutoxy)phenol
CID 58593134
1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 62332238
1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol
CID 43531496
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185

Frequently Asked Questions

What is the IUPAC name of ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol?
The IUPAC name of ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol (CID 142043711) is ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol.
What is the SMILES notation for ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol?
The canonical SMILES for ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol is C=C.CCC(C)CC[C@@H](O)COc1ccccc1F.
What is the InChIKey of ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol?
The InChIKey is XRXHHAGMBWZJSY-ALGPSANZSA-N. The full InChI is InChI=1S/C14H21FO2.C2H4/c1-3-11(2)8-9-12(16)10-17-14-7-5-4-6-13(14)15;1-2/h4-7,11-12,16H,3,8-10H2,1-2H3;1-2H2/t11?,12-;/m1./s1.
What are the key properties of ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol?
ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol has a molecular weight of 268.37 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol is sourced from PubChem (CID 142043711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).