[(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene

C18H22OS — CID 10589314

IUPAC[(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene
SMILESC[C@H](C[C@@H](C)Sc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H22OS/c1-15(19-14-17-9-5-3-6-10-17)13-16(2)20-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyLPXCSYGVRZRRPY-HZPDHXFCSA-N
MW286.44 g/mol
LogP5.16
Rot. Bonds7

About [(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene

[(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene (PubChem CID 10589314) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is [(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene
PubChem CID10589314
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name[(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene
SMILESC[C@H](C[C@@H](C)Sc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H22OS/c1-15(19-14-17-9-5-3-6-10-17)13-16(2)20-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyLPXCSYGVRZRRPY-HZPDHXFCSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.44
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-methyl-4-phenylmethoxypentanal
CID 10632107
butan-2-yloxymethylbenzene;ethane
CID 161043537
(3S)-2,3-dimethyl-5-phenylmethoxyhexanoic acid
CID 175615592
(5S)-3-benzyl-5-phenylmethoxyhexan-1-ol
CID 147439182
1-fluoropropan-2-ylsulfanylbenzene
CID 15563457
4-methoxy-2-phenylmethoxy-4-phenylsulfanylbutan-1-ol
CID 71659157
(2R,5R)-5-phenylmethoxyhexan-2-ol
CID 13411955
1-chloroethoxymethylbenzene
CID 12510706
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
[(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene
CID 145114900
S-phenyl (2R)-2-phenylmethoxypropanethioate
CID 15356044
(4S)-4-phenylmethoxypentan-2-one
CID 13214355

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene?
The IUPAC name of [(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene (CID 10589314) is [(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene.
What is the SMILES notation for [(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene?
The canonical SMILES for [(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene is C[C@H](C[C@@H](C)Sc1ccccc1)OCc1ccccc1.
What is the InChIKey of [(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene?
The InChIKey is LPXCSYGVRZRRPY-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H22OS/c1-15(19-14-17-9-5-3-6-10-17)13-16(2)20-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of [(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene?
[(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene has a molecular weight of 286.44 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-phenylmethoxypentan-2-yl]sulfanylbenzene is sourced from PubChem (CID 10589314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).