4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol

C16H15IO — CID 11695983

IUPAC4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol
SMILESOc1cc2ccccc2c(C2=CCCCC2)c1I
InChIInChI=1S/C16H15IO/c17-16-14(18)10-12-8-4-5-9-13(12)15(16)11-6-2-1-3-7-11/h4-6,8-10,18H,1-3,7H2
InChIKeyMHVFGMWNVOUBLU-UHFFFAOYSA-N
MW350.20 g/mol
LogP5.11
Rot. Bonds1

About 4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol

4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol (PubChem CID 11695983) has the molecular formula C16H15IO and a molecular weight of 350.20 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol
PubChem CID11695983
Molecular FormulaC16H15IO
Molecular Weight350.20 g/mol
Exact Mass350.02
IUPAC Name4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol
SMILESOc1cc2ccccc2c(C2=CCCCC2)c1I
InChIInChI=1S/C16H15IO/c17-16-14(18)10-12-8-4-5-9-13(12)15(16)11-6-2-1-3-7-11/h4-6,8-10,18H,1-3,7H2
InChIKeyMHVFGMWNVOUBLU-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.20
LogP ≤ 55.11
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

2-Naphthol
CID 8663
1-Naphthol
CID 7005
9-Phenanthrol
CID 10229
1-Hydroxypyrene
CID 21387
1,4-Naphthalenediol
CID 11305
4-Hydroxybiphenyl
CID 7103
2,3-Dihydroxynaphthalene
CID 7091
1,5-Dihydroxynaphthalene
CID 6749
Menadiol
CID 10209
(+)-Totarol
CID 92783
2,7-Naphthalenediol
CID 11397
1,1'-Methylenebis(2-naphthalenol)
CID 14187

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol?
The IUPAC name of 4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol (CID 11695983) is 4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol.
What is the SMILES notation for 4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol?
The canonical SMILES for 4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol is Oc1cc2ccccc2c(C2=CCCCC2)c1I.
What is the InChIKey of 4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol?
The InChIKey is MHVFGMWNVOUBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO/c17-16-14(18)10-12-8-4-5-9-13(12)15(16)11-6-2-1-3-7-11/h4-6,8-10,18H,1-3,7H2.
What are the key properties of 4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol?
4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol has a molecular weight of 350.20 g/mol, XLogP of 5.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol is sourced from PubChem (CID 11695983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).