(2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol

C19H20F2O2 — CID 15238250

IUPAC(2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol
SMILESC=C(C[C@@H](CO)COCc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2O2/c1-14(18-8-7-17(20)10-19(18)21)9-16(11-22)13-23-12-15-5-3-2-4-6-15/h2-8,10,16,22H,1,9,11-13H2/t16-/m0/s1
InChIKeyAOPZMJFZGCJBBM-INIZCTEOSA-N
MW318.36 g/mol
LogP4.19
Rot. Bonds8

About (2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol

(2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol (PubChem CID 15238250) has the molecular formula C19H20F2O2 and a molecular weight of 318.36 g/mol. Its IUPAC name is (2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol.

Molecular Properties

Compound Name(2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol
PubChem CID15238250
Molecular FormulaC19H20F2O2
Molecular Weight318.36 g/mol
Exact Mass318.14
IUPAC Name(2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol
SMILESC=C(C[C@@H](CO)COCc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2O2/c1-14(18-8-7-17(20)10-19(18)21)9-16(11-22)13-23-12-15-5-3-2-4-6-15/h2-8,10,16,22H,1,9,11-13H2/t16-/m0/s1
InChIKeyAOPZMJFZGCJBBM-INIZCTEOSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 247614
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CID 123049
2-Phenyloxan-4-ol
CID 10329884
cis-1,4-Dibenzyloxy-2-butene
CID 11086763
3-(Benzyloxy)-2-fluoropropan-1-ol
CID 14003285
2,3-Bis-(4-fluorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol
CID 42609841
1-[4-(2,4-Difluorophenyl)phenyl]hexane-1,6-diol
CID 49866098
Bis(2-fluorophenyl)methanol
CID 18424663
7-(Benzyloxy)heptan-1-ol
CID 11117647
2-(4-Methylphenyl)oxan-4-ol
CID 15864654
(2R,3R)-2-heptyl-5-phenylmethoxypentane-1,3-diol
CID 46200964

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol?
The IUPAC name of (2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol (CID 15238250) is (2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol.
What is the SMILES notation for (2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol?
The canonical SMILES for (2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol is C=C(C[C@@H](CO)COCc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of (2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol?
The InChIKey is AOPZMJFZGCJBBM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20F2O2/c1-14(18-8-7-17(20)10-19(18)21)9-16(11-22)13-23-12-15-5-3-2-4-6-15/h2-8,10,16,22H,1,9,11-13H2/t16-/m0/s1.
What are the key properties of (2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol?
(2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol has a molecular weight of 318.36 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-en-1-ol is sourced from PubChem (CID 15238250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).