(2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol

C18H21FO2 — CID 173039005

IUPAC(2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol
SMILESC[C@H](O)CCCc1ccc(F)cc1OCc1ccccc1
InChIInChI=1S/C18H21FO2/c1-14(20)6-5-9-16-10-11-17(19)12-18(16)21-13-15-7-3-2-4-8-15/h2-4,7-8,10-12,14,20H,5-6,9,13H2,1H3/t14-/m0/s1
InChIKeySZNDUCLSWVXDLK-AWEZNQCLSA-N
MW288.36 g/mol
LogP4.11
Rot. Bonds7

About (2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol

(2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol (PubChem CID 173039005) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is (2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name(2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol
PubChem CID173039005
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name(2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol
SMILESC[C@H](O)CCCc1ccc(F)cc1OCc1ccccc1
InChIInChI=1S/C18H21FO2/c1-14(20)6-5-9-16-10-11-17(19)12-18(16)21-13-15-7-3-2-4-8-15/h2-4,7-8,10-12,14,20H,5-6,9,13H2,1H3/t14-/m0/s1
InChIKeySZNDUCLSWVXDLK-AWEZNQCLSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol?
The IUPAC name of (2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol (CID 173039005) is (2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol.
What is the SMILES notation for (2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol?
The canonical SMILES for (2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol is C[C@H](O)CCCc1ccc(F)cc1OCc1ccccc1.
What is the InChIKey of (2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol?
The InChIKey is SZNDUCLSWVXDLK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21FO2/c1-14(20)6-5-9-16-10-11-17(19)12-18(16)21-13-15-7-3-2-4-8-15/h2-4,7-8,10-12,14,20H,5-6,9,13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol?
(2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol has a molecular weight of 288.36 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol is sourced from PubChem (CID 173039005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).