(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol

C13H13FO — CID 16680302

IUPAC(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol
SMILESO[C@@H](c1ccc(F)cc1)[C@@H]1C=CC=CC1
InChIInChI=1S/C13H13FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-4,6-10,13,15H,5H2/t10-,13-/m1/s1
InChIKeyXXAOMVHTOYUXIL-ZWNOBZJWSA-N
MW204.24 g/mol
LogP2.99
Rot. Bonds2

About (R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol

(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol (PubChem CID 16680302) has the molecular formula C13H13FO and a molecular weight of 204.24 g/mol. Its IUPAC name is (R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol
PubChem CID16680302
Molecular FormulaC13H13FO
Molecular Weight204.24 g/mol
Exact Mass204.10
IUPAC Name(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol
SMILESO[C@@H](c1ccc(F)cc1)[C@@H]1C=CC=CC1
InChIInChI=1S/C13H13FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-4,6-10,13,15H,5H2/t10-,13-/m1/s1
InChIKeyXXAOMVHTOYUXIL-ZWNOBZJWSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol
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(4-fluorophenyl)-[(2R)-piperazin-2-yl]methanol
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(2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one
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(4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol
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(4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one
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(3S)-3-cyclohexa-2,4-dien-1-ylbutan-2-one
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CID 145143909

Frequently Asked Questions

What is the IUPAC name of (R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol?
The IUPAC name of (R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol (CID 16680302) is (R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for (R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for (R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol is O[C@@H](c1ccc(F)cc1)[C@@H]1C=CC=CC1.
What is the InChIKey of (R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol?
The InChIKey is XXAOMVHTOYUXIL-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H13FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-4,6-10,13,15H,5H2/t10-,13-/m1/s1.
What are the key properties of (R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol?
(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol has a molecular weight of 204.24 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 16680302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).