1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C18H30OS — CID 65147632

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCc1ccc(CC2(O)CCC(C(C)(C)CC)CC2)s1
InChIInChI=1S/C18H30OS/c1-5-15-7-8-16(20-15)13-18(19)11-9-14(10-12-18)17(3,4)6-2/h7-8,14,19H,5-6,9-13H2,1-4H3
InChIKeySGJJFXXSQVRCTR-UHFFFAOYSA-N
MW294.50 g/mol
LogP5.21
Rot. Bonds5

About 1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 65147632) has the molecular formula C18H30OS and a molecular weight of 294.50 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID65147632
Molecular FormulaC18H30OS
Molecular Weight294.50 g/mol
Exact Mass294.20
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCc1ccc(CC2(O)CCC(C(C)(C)CC)CC2)s1
InChIInChI=1S/C18H30OS/c1-5-15-7-8-16(20-15)13-18(19)11-9-14(10-12-18)17(3,4)6-2/h7-8,14,19H,5-6,9-13H2,1-4H3
InChIKeySGJJFXXSQVRCTR-UHFFFAOYSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 65147632) is 1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCc1ccc(CC2(O)CCC(C(C)(C)CC)CC2)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is SGJJFXXSQVRCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30OS/c1-5-15-7-8-16(20-15)13-18(19)11-9-14(10-12-18)17(3,4)6-2/h7-8,14,19H,5-6,9-13H2,1-4H3.
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 294.50 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 65147632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).