1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol

C14H19BrOS — CID 65154109

IUPAC1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol
SMILESOC1(Cc2sccc2Br)CCCC(C2CC2)C1
InChIInChI=1S/C14H19BrOS/c15-12-5-7-17-13(12)9-14(16)6-1-2-11(8-14)10-3-4-10/h5,7,10-11,16H,1-4,6,8-9H2
InChIKeyKKDGRQXOOJWAIG-UHFFFAOYSA-N
MW315.28 g/mol
LogP4.38
Rot. Bonds3

About 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol

1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol (PubChem CID 65154109) has the molecular formula C14H19BrOS and a molecular weight of 315.28 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol
PubChem CID65154109
Molecular FormulaC14H19BrOS
Molecular Weight315.28 g/mol
Exact Mass314.03
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol
SMILESOC1(Cc2sccc2Br)CCCC(C2CC2)C1
InChIInChI=1S/C14H19BrOS/c15-12-5-7-17-13(12)9-14(16)6-1-2-11(8-14)10-3-4-10/h5,7,10-11,16H,1-4,6,8-9H2
InChIKeyKKDGRQXOOJWAIG-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol
CID 103564529
1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 65149116
1-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63411417
1-[(3-bromothiophen-2-yl)methyl]-2-cyclohexylcyclohexan-1-ol
CID 65147937
4-[(3-bromothiophen-2-yl)methyl]-1-propan-2-ylazepan-4-ol
CID 65151648
1-[(3-bromothiophen-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64773953
3-cyclopropyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-ol
CID 65154003
N-[(3-bromothiophen-2-yl)methyl]-1-(3,3-difluorocyclohexyl)methanamine
CID 114223869
1-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086657
2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol
CID 114082143
1-[(3-bromothiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663751
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65154268

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol (CID 65154109) is 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol is OC1(Cc2sccc2Br)CCCC(C2CC2)C1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol?
The InChIKey is KKDGRQXOOJWAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrOS/c15-12-5-7-17-13(12)9-14(16)6-1-2-11(8-14)10-3-4-10/h5,7,10-11,16H,1-4,6,8-9H2.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol?
1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol has a molecular weight of 315.28 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol is sourced from PubChem (CID 65154109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).