5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol

C12H14F2O2 — CID 15530718

IUPAC5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol
SMILESCOc1ccc(C(CCCO)=C(F)F)cc1
InChIInChI=1S/C12H14F2O2/c1-16-10-6-4-9(5-7-10)11(12(13)14)3-2-8-15/h4-7,15H,2-3,8H2,1H3
InChIKeyIVPWMWZRAPOJNI-UHFFFAOYSA-N
MW228.24 g/mol
LogP3.08
Rot. Bonds5

About 5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol

5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol (PubChem CID 15530718) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol.

Molecular Properties

Compound Name5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol
PubChem CID15530718
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol
SMILESCOc1ccc(C(CCCO)=C(F)F)cc1
InChIInChI=1S/C12H14F2O2/c1-16-10-6-4-9(5-7-10)11(12(13)14)3-2-8-15/h4-7,15H,2-3,8H2,1H3
InChIKeyIVPWMWZRAPOJNI-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-en-1-ol
CID 58223742
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CID 170887821
6,6-difluoro-5-(4-methoxyphenyl)-2-phenylhex-5-en-3-ol
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4-hydroxy-N-(4-methoxyphenyl)-N-methylbutanamide
CID 79191908
1-bromo-4-[4,4-difluoro-3-(4-methoxyphenyl)-1-phenylbut-3-enyl]benzene
CID 168720186
1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene
CID 102291968
1-[2,2-difluoro-1-(4-fluorophenyl)ethenyl]-4-methoxybenzene
CID 11623099
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene
CID 13119213
6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile
CID 101266071
CID 12714057
CID 12714057
4,5,5-tris(4-methoxyphenyl)pent-4-enenitrile
CID 10340893

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol?
The IUPAC name of 5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol (CID 15530718) is 5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol.
What is the SMILES notation for 5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol?
The canonical SMILES for 5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol is COc1ccc(C(CCCO)=C(F)F)cc1.
What is the InChIKey of 5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol?
The InChIKey is IVPWMWZRAPOJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-16-10-6-4-9(5-7-10)11(12(13)14)3-2-8-15/h4-7,15H,2-3,8H2,1H3.
What are the key properties of 5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol?
5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol has a molecular weight of 228.24 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol is sourced from PubChem (CID 15530718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).