1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol

C15H15FO2 — CID 175165244

IUPAC1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol
SMILESCOC1C=CC=CC1(O)/C=C(\F)c1ccccc1
InChIInChI=1S/C15H15FO2/c1-18-14-9-5-6-10-15(14,17)11-13(16)12-7-3-2-4-8-12/h2-11,14,17H,1H3/b13-11-
InChIKeyUWSUFBKKALIUMS-QBFSEMIESA-N
MW246.28 g/mol
LogP2.87
Rot. Bonds3

About 1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol

1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol (PubChem CID 175165244) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol
PubChem CID175165244
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol
SMILESCOC1C=CC=CC1(O)/C=C(\F)c1ccccc1
InChIInChI=1S/C15H15FO2/c1-18-14-9-5-6-10-15(14,17)11-13(16)12-7-3-2-4-8-12/h2-11,14,17H,1H3/b13-11-
InChIKeyUWSUFBKKALIUMS-QBFSEMIESA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-6-methoxycyclohexa-2,4-dien-1-ol
CID 174471508
6-benzoyl-1-methoxycyclohexa-2,4-diene-1-carboxylic acid
CID 159234773
2-fluoro-2-phenylethenol
CID 141157476
(6-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 154355270
1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol
CID 70477137
(6-benzoyl-1-hydroxycyclohexa-2,4-dien-1-yl) prop-2-enoate
CID 172708153
2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)-1-phenylethanone
CID 22253865
7-amino-1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-1,1-diphenylheptan-2-ol
CID 69282585
1-[1-(2-hydroxy-3H-inden-1-yl)-6-methoxycyclohexa-2,4-dien-1-yl]ethanone
CID 168870672
2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one
CID 136630217
1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
CID 12574787
(1,6-dichlorocyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 174997196

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol (CID 175165244) is 1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol is COC1C=CC=CC1(O)/C=C(\F)c1ccccc1.
What is the InChIKey of 1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol?
The InChIKey is UWSUFBKKALIUMS-QBFSEMIESA-N. The full InChI is InChI=1S/C15H15FO2/c1-18-14-9-5-6-10-15(14,17)11-13(16)12-7-3-2-4-8-12/h2-11,14,17H,1H3/b13-11-.
What are the key properties of 1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol?
1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol has a molecular weight of 246.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-fluoro-2-phenylethenyl]-6-methoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175165244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).