4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol

C16H26OS — CID 65151466

IUPAC4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol
SMILESCC(C)C1CCCC(O)(CCc2ccsc2)CC1
InChIInChI=1S/C16H26OS/c1-13(2)15-4-3-8-16(17,10-6-15)9-5-14-7-11-18-12-14/h7,11-13,15,17H,3-6,8-10H2,1-2H3
InChIKeyQFUSVDRJRMACPZ-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.65
Rot. Bonds4

About 4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol

4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol (PubChem CID 65151466) has the molecular formula C16H26OS and a molecular weight of 266.45 g/mol. Its IUPAC name is 4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol
PubChem CID65151466
Molecular FormulaC16H26OS
Molecular Weight266.45 g/mol
Exact Mass266.17
IUPAC Name4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol
SMILESCC(C)C1CCCC(O)(CCc2ccsc2)CC1
InChIInChI=1S/C16H26OS/c1-13(2)15-4-3-8-16(17,10-6-15)9-5-14-7-11-18-12-14/h7,11-13,15,17H,3-6,8-10H2,1-2H3
InChIKeyQFUSVDRJRMACPZ-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
CID 106873818
3-methyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-ol
CID 65154208
2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64774556
5-methyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)cyclohexan-1-ol
CID 65142694
2,2-dimethyl-4-(2-thiophen-3-ylethyl)oxan-4-ol
CID 65149154
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
1-(2,2-dimethylcyclopentyl)-3-thiophen-3-ylpropan-1-amine
CID 107188789
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65090870
4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
CID 65085385
4-propan-2-yl-1-[(propan-2-ylamino)methyl]cycloheptan-1-ol
CID 65090686
1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 54952846
1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol
CID 65151467

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol?
The IUPAC name of 4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol (CID 65151466) is 4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol.
What is the SMILES notation for 4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol?
The canonical SMILES for 4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol is CC(C)C1CCCC(O)(CCc2ccsc2)CC1.
What is the InChIKey of 4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol?
The InChIKey is QFUSVDRJRMACPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OS/c1-13(2)15-4-3-8-16(17,10-6-15)9-5-14-7-11-18-12-14/h7,11-13,15,17H,3-6,8-10H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol?
4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol has a molecular weight of 266.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(2-thiophen-3-ylethyl)cycloheptan-1-ol is sourced from PubChem (CID 65151466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).