1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol

C14H18OS — CID 117341216

IUPAC1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol
SMILESOC1(c2ccc(C3CCSCC3)cc2)CC1
InChIInChI=1S/C14H18OS/c15-14(7-8-14)13-3-1-11(2-4-13)12-5-9-16-10-6-12/h1-4,12,15H,5-10H2
InChIKeyDQUPIMXWFCZPFH-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.28
Rot. Bonds2

About 1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol

1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol (PubChem CID 117341216) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol
PubChem CID117341216
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol
SMILESOC1(c2ccc(C3CCSCC3)cc2)CC1
InChIInChI=1S/C14H18OS/c15-14(7-8-14)13-3-1-11(2-4-13)12-5-9-16-10-6-12/h1-4,12,15H,5-10H2
InChIKeyDQUPIMXWFCZPFH-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[4-(thian-4-yl)phenyl]cyclopropyl]acetic acid
CID 117443081
1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol
CID 117365932
4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one
CID 116505390
4-phenylthiane
CID 601191
1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 116505382
3-(4-cyclohexylphenyl)oxetan-3-ol
CID 116872960
3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol
CID 116505430
1-(4-pyrrolidin-2-ylphenyl)cyclopropan-1-ol
CID 117116735
3-(4-cyclobutylphenyl)-2-methylthian-3-ol
CID 116505414
1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol
CID 86228586
1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropan-1-ol
CID 117430121
3-[4-(thian-4-yl)phenyl]propanoic acid
CID 117379775

Frequently Asked Questions

What is the IUPAC name of 1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol (CID 117341216) is 1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol is OC1(c2ccc(C3CCSCC3)cc2)CC1.
What is the InChIKey of 1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol?
The InChIKey is DQUPIMXWFCZPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c15-14(7-8-14)13-3-1-11(2-4-13)12-5-9-16-10-6-12/h1-4,12,15H,5-10H2.
What are the key properties of 1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol?
1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol has a molecular weight of 234.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117341216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).