4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol

C14H19BrOS — CID 146397702

IUPAC4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(CSc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrOS/c1-14(16)8-6-11(7-9-14)10-17-13-4-2-12(15)3-5-13/h2-5,11,16H,6-10H2,1H3
InChIKeyHYEBHHVWIPNNJF-UHFFFAOYSA-N
MW315.28 g/mol
LogP4.48
Rot. Bonds3

About 4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol

4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol (PubChem CID 146397702) has the molecular formula C14H19BrOS and a molecular weight of 315.28 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol
PubChem CID146397702
Molecular FormulaC14H19BrOS
Molecular Weight315.28 g/mol
Exact Mass314.03
IUPAC Name4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(CSc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrOS/c1-14(16)8-6-11(7-9-14)10-17-13-4-2-12(15)3-5-13/h2-5,11,16H,6-10H2,1H3
InChIKeyHYEBHHVWIPNNJF-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol (CID 146397702) is 4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol is CC1(O)CCC(CSc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol?
The InChIKey is HYEBHHVWIPNNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrOS/c1-14(16)8-6-11(7-9-14)10-17-13-4-2-12(15)3-5-13/h2-5,11,16H,6-10H2,1H3.
What are the key properties of 4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol?
4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol has a molecular weight of 315.28 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfanylmethyl]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 146397702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).