1-phenylmethoxy-6-phenylsulfanylhexan-2-ol

C19H24O2S — CID 151451613

IUPAC1-phenylmethoxy-6-phenylsulfanylhexan-2-ol
SMILESOC(CCCCSc1ccccc1)COCc1ccccc1
InChIInChI=1S/C19H24O2S/c20-18(16-21-15-17-9-3-1-4-10-17)11-7-8-14-22-19-12-5-2-6-13-19/h1-6,9-10,12-13,18,20H,7-8,11,14-16H2
InChIKeyPGPIRRYQTPBPEX-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.53
Rot. Bonds10

About 1-phenylmethoxy-6-phenylsulfanylhexan-2-ol

1-phenylmethoxy-6-phenylsulfanylhexan-2-ol (PubChem CID 151451613) has the molecular formula C19H24O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-phenylmethoxy-6-phenylsulfanylhexan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-6-phenylsulfanylhexan-2-ol
PubChem CID151451613
Molecular FormulaC19H24O2S
Molecular Weight316.47 g/mol
Exact Mass316.15
IUPAC Name1-phenylmethoxy-6-phenylsulfanylhexan-2-ol
SMILESOC(CCCCSc1ccccc1)COCc1ccccc1
InChIInChI=1S/C19H24O2S/c20-18(16-21-15-17-9-3-1-4-10-17)11-7-8-14-22-19-12-5-2-6-13-19/h1-6,9-10,12-13,18,20H,7-8,11,14-16H2
InChIKeyPGPIRRYQTPBPEX-UHFFFAOYSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol
CID 11130512
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(2S)-15-phenylmethoxypentadecane-1,2-diol
CID 101081021
CID 172760983
CID 172760983
1-fluoro-5-phenylmethoxypentan-2-ol
CID 14003295
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-6-phenylsulfanylhexan-2-ol?
The IUPAC name of 1-phenylmethoxy-6-phenylsulfanylhexan-2-ol (CID 151451613) is 1-phenylmethoxy-6-phenylsulfanylhexan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-6-phenylsulfanylhexan-2-ol?
The canonical SMILES for 1-phenylmethoxy-6-phenylsulfanylhexan-2-ol is OC(CCCCSc1ccccc1)COCc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-6-phenylsulfanylhexan-2-ol?
The InChIKey is PGPIRRYQTPBPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2S/c20-18(16-21-15-17-9-3-1-4-10-17)11-7-8-14-22-19-12-5-2-6-13-19/h1-6,9-10,12-13,18,20H,7-8,11,14-16H2.
What are the key properties of 1-phenylmethoxy-6-phenylsulfanylhexan-2-ol?
1-phenylmethoxy-6-phenylsulfanylhexan-2-ol has a molecular weight of 316.47 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-6-phenylsulfanylhexan-2-ol is sourced from PubChem (CID 151451613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).