2-methyl-2-phenylsulfanylheptan-3-ol

C14H22OS — CID 11356852

IUPAC2-methyl-2-phenylsulfanylheptan-3-ol
SMILESCCCCC(O)C(C)(C)Sc1ccccc1
InChIInChI=1S/C14H22OS/c1-4-5-11-13(15)14(2,3)16-12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3
InChIKeyWHKHHRSSPMAOSR-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.11
Rot. Bonds6

About 2-methyl-2-phenylsulfanylheptan-3-ol

2-methyl-2-phenylsulfanylheptan-3-ol (PubChem CID 11356852) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-methyl-2-phenylsulfanylheptan-3-ol.

Molecular Properties

Compound Name2-methyl-2-phenylsulfanylheptan-3-ol
PubChem CID11356852
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name2-methyl-2-phenylsulfanylheptan-3-ol
SMILESCCCCC(O)C(C)(C)Sc1ccccc1
InChIInChI=1S/C14H22OS/c1-4-5-11-13(15)14(2,3)16-12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3
InChIKeyWHKHHRSSPMAOSR-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Phenylthio)-2-propanol
CID 99788
2-(Phenylsulfanyl)cyclohexanol
CID 278135
cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol
CID 90662595
5-Phenylsulfanylpentan-1-ol
CID 346015
2-Butanol, 1-(phenylthio)-
CID 580222
(1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol
CID 10038565
4-(Phenylsulfanyl)-2-butanol
CID 11019506
1-(Phenylsulfanyl)-2-octanol
CID 11276474
trans-2-(p-Tolylthio)cyclohexanol
CID 11535899
trans-(1S,2S)-2-(4-methylphenyl)sulfanylcyclohexan-1-ol
CID 12922227
2-Phenylsulfanylcyclopentanol
CID 494482
3-Methyl-1-(phenylsulfanyl)butan-2-ol
CID 12562878

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylsulfanylheptan-3-ol?
The IUPAC name of 2-methyl-2-phenylsulfanylheptan-3-ol (CID 11356852) is 2-methyl-2-phenylsulfanylheptan-3-ol.
What is the SMILES notation for 2-methyl-2-phenylsulfanylheptan-3-ol?
The canonical SMILES for 2-methyl-2-phenylsulfanylheptan-3-ol is CCCCC(O)C(C)(C)Sc1ccccc1.
What is the InChIKey of 2-methyl-2-phenylsulfanylheptan-3-ol?
The InChIKey is WHKHHRSSPMAOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-4-5-11-13(15)14(2,3)16-12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3.
What are the key properties of 2-methyl-2-phenylsulfanylheptan-3-ol?
2-methyl-2-phenylsulfanylheptan-3-ol has a molecular weight of 238.40 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylsulfanylheptan-3-ol is sourced from PubChem (CID 11356852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).