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

C12H14F2O2 — CID 103971224

IUPAC(Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol
SMILESC/C(=C/C(C)O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H14F2O2/c1-8(6-9(2)15)10-4-3-5-11(7-10)16-12(13)14/h3-7,9,12,15H,1-2H3/b8-6-
InChIKeyZAPAEALMOMGIPA-VURMDHGXSA-N
MW228.24 g/mol
LogP3.07
Rot. Bonds4

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

(Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol (PubChem CID 103971224) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is (Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol
PubChem CID103971224
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol
SMILESC/C(=C/C(C)O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H14F2O2/c1-8(6-9(2)15)10-4-3-5-11(7-10)16-12(13)14/h3-7,9,12,15H,1-2H3/b8-6-
InChIKeyZAPAEALMOMGIPA-VURMDHGXSA-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

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CID 76996884
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3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide
CID 113304412
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
3-[3-(difluoromethoxy)phenyl]-2-methyl-3-oxopropanenitrile
CID 43157235
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
(Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol
CID 103971139
3-amino-1-[3-(difluoromethoxy)phenyl]butan-1-one
CID 81463565
N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide
CID 7945561
4-[[3-(difluoromethoxy)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832660

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol?
The IUPAC name of (Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol (CID 103971224) is (Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol.
What is the SMILES notation for (Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol?
The canonical SMILES for (Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol is C/C(=C/C(C)O)c1cccc(OC(F)F)c1.
What is the InChIKey of (Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol?
The InChIKey is ZAPAEALMOMGIPA-VURMDHGXSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-8(6-9(2)15)10-4-3-5-11(7-10)16-12(13)14/h3-7,9,12,15H,1-2H3/b8-6-.
What are the key properties of (Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol?
(Z)-4-[3-(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-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol is sourced from PubChem (CID 103971224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).