3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C14H18ClNO2 — CID 82020755

IUPAC3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESNC1C(O)c2cc(Cl)ccc2OC12CCCCC2
InChIInChI=1S/C14H18ClNO2/c15-9-4-5-11-10(8-9)12(17)13(16)14(18-11)6-2-1-3-7-14/h4-5,8,12-13,17H,1-3,6-7,16H2
InChIKeyVFTNCVCERONJBH-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.80
Rot. Bonds

About 3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 82020755) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID82020755
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESNC1C(O)c2cc(Cl)ccc2OC12CCCCC2
InChIInChI=1S/C14H18ClNO2/c15-9-4-5-11-10(8-9)12(17)13(16)14(18-11)6-2-1-3-7-14/h4-5,8,12-13,17H,1-3,6-7,16H2
InChIKeyVFTNCVCERONJBH-UHFFFAOYSA-N
XLogP2.80
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of 3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 82020755) is 3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for 3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for 3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is NC1C(O)c2cc(Cl)ccc2OC12CCCCC2.
What is the InChIKey of 3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is VFTNCVCERONJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-9-4-5-11-10(8-9)12(17)13(16)14(18-11)6-2-1-3-7-14/h4-5,8,12-13,17H,1-3,6-7,16H2.
What are the key properties of 3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 267.76 g/mol, XLogP of 2.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 82020755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).