3-[(4-iodophenyl)methyl]cycloheptan-1-ol

C14H19IO — CID 65490170

IUPAC3-[(4-iodophenyl)methyl]cycloheptan-1-ol
SMILESOC1CCCCC(Cc2ccc(I)cc2)C1
InChIInChI=1S/C14H19IO/c15-13-7-5-11(6-8-13)9-12-3-1-2-4-14(16)10-12/h5-8,12,14,16H,1-4,9-10H2
InChIKeyAJEGIXXOGAHISL-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.77
Rot. Bonds2

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

3-[(4-iodophenyl)methyl]cycloheptan-1-ol (PubChem CID 65490170) has the molecular formula C14H19IO and a molecular weight of 330.21 g/mol. Its IUPAC name is 3-[(4-iodophenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name3-[(4-iodophenyl)methyl]cycloheptan-1-ol
PubChem CID65490170
Molecular FormulaC14H19IO
Molecular Weight330.21 g/mol
Exact Mass330.05
IUPAC Name3-[(4-iodophenyl)methyl]cycloheptan-1-ol
SMILESOC1CCCCC(Cc2ccc(I)cc2)C1
InChIInChI=1S/C14H19IO/c15-13-7-5-11(6-8-13)9-12-3-1-2-4-14(16)10-12/h5-8,12,14,16H,1-4,9-10H2
InChIKeyAJEGIXXOGAHISL-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-fluorophenyl)methyl]cycloheptan-1-ol
CID 64514392
3-[(4-methylphenyl)methyl]cyclohexan-1-ol
CID 64515561
3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031
3-[(3-bromophenyl)methyl]cycloheptan-1-ol
CID 64515099
4-[(4-iodophenyl)methyl]azepane
CID 83262135
1,3-dibenzylcyclooctane
CID 3045388
3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol
CID 64515583
3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol
CID 130835243
[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
4-(cyclohexylmethyl)benzoyl iodide
CID 163522101
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol
CID 65490568

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 3-[(4-iodophenyl)methyl]cycloheptan-1-ol (CID 65490170) is 3-[(4-iodophenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 3-[(4-iodophenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 3-[(4-iodophenyl)methyl]cycloheptan-1-ol is OC1CCCCC(Cc2ccc(I)cc2)C1.
What is the InChIKey of 3-[(4-iodophenyl)methyl]cycloheptan-1-ol?
The InChIKey is AJEGIXXOGAHISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IO/c15-13-7-5-11(6-8-13)9-12-3-1-2-4-14(16)10-12/h5-8,12,14,16H,1-4,9-10H2.
What are the key properties of 3-[(4-iodophenyl)methyl]cycloheptan-1-ol?
3-[(4-iodophenyl)methyl]cycloheptan-1-ol has a molecular weight of 330.21 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 65490170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).