4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol

C14H19IO2 — CID 65478285

IUPAC4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol
SMILESCC1(C)CC(O)(Cc2ccc(I)cc2)CCO1
InChIInChI=1S/C14H19IO2/c1-13(2)10-14(16,7-8-17-13)9-11-3-5-12(15)6-4-11/h3-6,16H,7-10H2,1-2H3
InChIKeyLGVCUTDDOMSESD-UHFFFAOYSA-N
MW346.21 g/mol
LogP3.15
Rot. Bonds2

About 4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol

4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol (PubChem CID 65478285) has the molecular formula C14H19IO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is 4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol.

Molecular Properties

Compound Name4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol
PubChem CID65478285
Molecular FormulaC14H19IO2
Molecular Weight346.21 g/mol
Exact Mass346.04
IUPAC Name4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol
SMILESCC1(C)CC(O)(Cc2ccc(I)cc2)CCO1
InChIInChI=1S/C14H19IO2/c1-13(2)10-14(16,7-8-17-13)9-11-3-5-12(15)6-4-11/h3-6,16H,7-10H2,1-2H3
InChIKeyLGVCUTDDOMSESD-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Benzyl-3-pentanol
CID 118704
alpha-Ethyl-alpha-methylbenzeneethanol
CID 101135
4-Phenyloxan-4-ol
CID 2741305
Benzene, (2-(1,1-dimethylethoxy)ethyl)-
CID 76884
2,4-Dimethyl-1,5-bis(4-methylphenyl)pentane-2,4-diol
CID 283769
2-Methyl-1-phenyl-2-pentanol
CID 4657540
2-Methyl-2-phenyloxan-4-ol
CID 22413814
tetrahydro-4-methyl-2-phenyl-2H-pyran-4-ol
CID 3017433
2-Benzylbutane-1,2-diol
CID 14943083
2,2-Dimethyl-3-(2-phenylethyl)oxolan-3-ol
CID 10560891
Tetrahydro-4-phenyl-2H-pyran-4-methanol
CID 54772595
(2R)-2-(tert-butoxy)-3-phenylpropan-1-ol
CID 155971150

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol?
The IUPAC name of 4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol (CID 65478285) is 4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol.
What is the SMILES notation for 4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol?
The canonical SMILES for 4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol is CC1(C)CC(O)(Cc2ccc(I)cc2)CCO1.
What is the InChIKey of 4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol?
The InChIKey is LGVCUTDDOMSESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IO2/c1-13(2)10-14(16,7-8-17-13)9-11-3-5-12(15)6-4-11/h3-6,16H,7-10H2,1-2H3.
What are the key properties of 4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol?
4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol has a molecular weight of 346.21 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol is sourced from PubChem (CID 65478285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).