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

C14H19IO — CID 80699119

IUPAC1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(O)(Cc2ccc(I)cc2)C1
InChIInChI=1S/C14H19IO/c1-13(2)7-8-14(16,10-13)9-11-3-5-12(15)6-4-11/h3-6,16H,7-10H2,1-2H3
InChIKeyRIZYGCWPDMQHQR-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.77
Rot. Bonds2

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

1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol (PubChem CID 80699119) has the molecular formula C14H19IO and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
PubChem CID80699119
Molecular FormulaC14H19IO
Molecular Weight330.21 g/mol
Exact Mass330.05
IUPAC Name1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(O)(Cc2ccc(I)cc2)C1
InChIInChI=1S/C14H19IO/c1-13(2)7-8-14(16,10-13)9-11-3-5-12(15)6-4-11/h3-6,16H,7-10H2,1-2H3
InChIKeyRIZYGCWPDMQHQR-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

1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699934
4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol
CID 65478285
1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol
CID 83173185
1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81313908
1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 65477877
1-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65479093
1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 112682706
1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699590
3-[(4-ethylphenyl)methyl]-5,5-dimethylthian-3-ol
CID 79947093
3,3-dimethyl-1-(methylaminomethyl)cyclopentan-1-ol
CID 80698803
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol
CID 80698548
1-[(4-iodophenyl)methyl]cyclopropan-1-amine
CID 58506888

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol?
The IUPAC name of 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol (CID 80699119) is 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol is CC1(C)CCC(O)(Cc2ccc(I)cc2)C1.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol?
The InChIKey is RIZYGCWPDMQHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IO/c1-13(2)7-8-14(16,10-13)9-11-3-5-12(15)6-4-11/h3-6,16H,7-10H2,1-2H3.
What are the key properties of 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol?
1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-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 1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 80699119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).