1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol

C19H24OS — CID 146037742

IUPAC1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol
SMILESOC(C=CSc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24OS/c20-18(6-7-21-17-4-2-1-3-5-17)19-11-14-8-15(12-19)10-16(9-14)13-19/h1-7,14-16,18,20H,8-13H2
InChIKeyYFJBXJXGJALJGI-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.87
Rot. Bonds4

About 1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol

1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol (PubChem CID 146037742) has the molecular formula C19H24OS and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol
PubChem CID146037742
Molecular FormulaC19H24OS
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol
SMILESOC(C=CSc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24OS/c20-18(6-7-21-17-4-2-1-3-5-17)19-11-14-8-15(12-19)10-16(9-14)13-19/h1-7,14-16,18,20H,8-13H2
InChIKeyYFJBXJXGJALJGI-UHFFFAOYSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 55186220
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1-(1-adamantyl)-2-phenylsulfanylethanamine
CID 64619212
1-adamantyl-(2-methylphenyl)methanol
CID 63410950
(E,2S)-2-(1-adamantyl)-4-phenylbut-3-en-1-ol
CID 59733595
2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene
CID 70566874
(S)-1-adamantyl-(4-aminophenyl)methanol
CID 139076507
carbonic acid;2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene
CID 70566873
1-adamantyl-(2-methoxyphenyl)methanol
CID 63410949
S-phenyl adamantane-1-carbothioate
CID 139084175
2-(1-adamantyl)-1,3-diphenylpropane-1,3-dione
CID 570219
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CID 15721222

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol?
The IUPAC name of 1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol (CID 146037742) is 1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol.
What is the SMILES notation for 1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol?
The canonical SMILES for 1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol is OC(C=CSc1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol?
The InChIKey is YFJBXJXGJALJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24OS/c20-18(6-7-21-17-4-2-1-3-5-17)19-11-14-8-15(12-19)10-16(9-14)13-19/h1-7,14-16,18,20H,8-13H2.
What are the key properties of 1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol?
1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol has a molecular weight of 300.47 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-phenylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 146037742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).