1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol

C15H21IO — CID 65479093

IUPAC1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2ccc(I)cc2)CC1C
InChIInChI=1S/C15H21IO/c1-11-7-8-15(17,9-12(11)2)10-13-3-5-14(16)6-4-13/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyBFCAVCAOGJKSTO-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.02
Rot. Bonds2

About 1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol

1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol (PubChem CID 65479093) has the molecular formula C15H21IO and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
PubChem CID65479093
Molecular FormulaC15H21IO
Molecular Weight344.24 g/mol
Exact Mass344.06
IUPAC Name1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2ccc(I)cc2)CC1C
InChIInChI=1S/C15H21IO/c1-11-7-8-15(17,9-12(11)2)10-13-3-5-14(16)6-4-13/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyBFCAVCAOGJKSTO-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol (CID 65479093) is 1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol is CC1CCC(O)(Cc2ccc(I)cc2)CC1C.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The InChIKey is BFCAVCAOGJKSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IO/c1-11-7-8-15(17,9-12(11)2)10-13-3-5-14(16)6-4-13/h3-6,11-12,17H,7-10H2,1-2H3.
What are the key properties of 1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol has a molecular weight of 344.24 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65479093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).