(3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol

C14H17F3O2 — CID 10802265

IUPAC(3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol
SMILESCCC/C(=C\c1ccc(OC)cc1)C(O)C(F)(F)F
InChIInChI=1S/C14H17F3O2/c1-3-4-11(13(18)14(15,16)17)9-10-5-7-12(19-2)8-6-10/h5-9,13,18H,3-4H2,1-2H3/b11-9+
InChIKeyDHKCBGZRIUTRGJ-PKNBQFBNSA-N
MW274.28 g/mol
LogP3.80
Rot. Bonds5

About (3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol

(3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol (PubChem CID 10802265) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is (3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol.

Molecular Properties

Compound Name(3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol
PubChem CID10802265
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name(3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol
SMILESCCC/C(=C\c1ccc(OC)cc1)C(O)C(F)(F)F
InChIInChI=1S/C14H17F3O2/c1-3-4-11(13(18)14(15,16)17)9-10-5-7-12(19-2)8-6-10/h5-9,13,18H,3-4H2,1-2H3/b11-9+
InChIKeyDHKCBGZRIUTRGJ-PKNBQFBNSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[(Z)-2,4,4,4-tetrafluorobut-1-enyl]benzene
CID 177473841
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
3-[(4-methoxyphenyl)methylidene]octan-2-one
CID 68526901
2-[(4-methoxyphenyl)methylidene]octanoic acid
CID 67426612
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene
CID 19370413
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
(E)-N-ethyl-4-(4-methoxyphenyl)-3-methylbut-3-en-2-amine
CID 103093396
(E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol
CID 162418078
2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339393
1-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 101020500
(Z)-3-bromo-4-(4-ethylphenyl)-1,1,1-trifluorobut-3-en-2-ol
CID 101155856

Frequently Asked Questions

What is the IUPAC name of (3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol?
The IUPAC name of (3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol (CID 10802265) is (3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol.
What is the SMILES notation for (3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol?
The canonical SMILES for (3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol is CCC/C(=C\c1ccc(OC)cc1)C(O)C(F)(F)F.
What is the InChIKey of (3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol?
The InChIKey is DHKCBGZRIUTRGJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H17F3O2/c1-3-4-11(13(18)14(15,16)17)9-10-5-7-12(19-2)8-6-10/h5-9,13,18H,3-4H2,1-2H3/b11-9+.
What are the key properties of (3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol?
(3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol has a molecular weight of 274.28 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methylidene]hexan-2-ol is sourced from PubChem (CID 10802265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).