(Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol

C12H14F2O2 — CID 103971139

IUPAC(Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol
SMILESC/C(=C/C(C)O)c1ccccc1OC(F)F
InChIInChI=1S/C12H14F2O2/c1-8(7-9(2)15)10-5-3-4-6-11(10)16-12(13)14/h3-7,9,12,15H,1-2H3/b8-7-
InChIKeyIXICAQCQIGETQB-FPLPWBNLSA-N
MW228.24 g/mol
LogP3.07
Rot. Bonds4

About (Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol

(Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol (PubChem CID 103971139) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is (Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol
PubChem CID103971139
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol
SMILESC/C(=C/C(C)O)c1ccccc1OC(F)F
InChIInChI=1S/C12H14F2O2/c1-8(7-9(2)15)10-5-3-4-6-11(10)16-12(13)14/h3-7,9,12,15H,1-2H3/b8-7-
InChIKeyIXICAQCQIGETQB-FPLPWBNLSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(difluoromethoxy)phenyl]but-2-enenitrile
CID 76915986
1-(1-diazoethyl)-2-(difluoromethoxy)benzene
CID 156625220
(Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol
CID 103971224
(Z)-3-[2-(difluoromethoxy)phenyl]-N-(4-hydroxy-2-methylpentyl)but-2-enamide
CID 111970449
3-[2-(difluoromethoxy)phenyl]-2-fluorobut-2-enoic acid
CID 79728817
1-[2-(difluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 63894804
1-[2-(difluoromethoxy)phenyl]-4-methylpentan-1-one
CID 114966814
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
(Z)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)but-2-enamide
CID 109478866
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol?
The IUPAC name of (Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol (CID 103971139) is (Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol.
What is the SMILES notation for (Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol?
The canonical SMILES for (Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol is C/C(=C/C(C)O)c1ccccc1OC(F)F.
What is the InChIKey of (Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol?
The InChIKey is IXICAQCQIGETQB-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-8(7-9(2)15)10-5-3-4-6-11(10)16-12(13)14/h3-7,9,12,15H,1-2H3/b8-7-.
What are the key properties of (Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol?
(Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol has a molecular weight of 228.24 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol is sourced from PubChem (CID 103971139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).