fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol

C19H25FO2 — CID 142400351

IUPACfluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol
SMILESCC(C)C(O)C(C)OCc1ccccc1.Fc1ccccc1
InChIInChI=1S/C13H20O2.C6H5F/c1-10(2)13(14)11(3)15-9-12-7-5-4-6-8-12;7-6-4-2-1-3-5-6/h4-8,10-11,13-14H,9H2,1-3H3;1-5H
InChIKeyRBFAUHJPDUNEQH-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.43
Rot. Bonds5

About fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol

fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol (PubChem CID 142400351) has the molecular formula C19H25FO2 and a molecular weight of 304.40 g/mol. Its IUPAC name is fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol.

Molecular Properties

Compound Namefluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol
PubChem CID142400351
Molecular FormulaC19H25FO2
Molecular Weight304.40 g/mol
Exact Mass304.18
IUPAC Namefluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol
SMILESCC(C)C(O)C(C)OCc1ccccc1.Fc1ccccc1
InChIInChI=1S/C13H20O2.C6H5F/c1-10(2)13(14)11(3)15-9-12-7-5-4-6-8-12;7-6-4-2-1-3-5-6/h4-8,10-11,13-14H,9H2,1-3H3;1-5H
InChIKeyRBFAUHJPDUNEQH-UHFFFAOYSA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
6-phenylmethoxyheptane-1,2,3,4,5-pentol
CID 174419324
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
(2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol
CID 121344680
(3R,4S,5S)-4-methyl-5-phenylmethoxyhexan-3-ol
CID 10799076
N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide
CID 123756528
(2S,4S,5S)-5-hydroxy-4,6-dimethyl-2-phenylmethoxyheptan-3-one
CID 101232046
2,5-bis[(4-fluorophenyl)methoxy]-1,6-bis(phenylmethoxy)hexane-3,4-diol
CID 18358352
S-tert-butyl (2S,3S,4S)-3-hydroxy-2-methyl-4-phenylmethoxypentanethioate
CID 13460109
1-bromo-1-phenylmethoxypropan-2-ol
CID 67553340
2-fluoro-3-phenylmethoxypropane-1,1,3-triol
CID 71187743

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol?
The IUPAC name of fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol (CID 142400351) is fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol.
What is the SMILES notation for fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol?
The canonical SMILES for fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol is CC(C)C(O)C(C)OCc1ccccc1.Fc1ccccc1.
What is the InChIKey of fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol?
The InChIKey is RBFAUHJPDUNEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2.C6H5F/c1-10(2)13(14)11(3)15-9-12-7-5-4-6-8-12;7-6-4-2-1-3-5-6/h4-8,10-11,13-14H,9H2,1-3H3;1-5H.
What are the key properties of fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol?
fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol has a molecular weight of 304.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol is sourced from PubChem (CID 142400351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).