spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol

C14H18O2 — CID 2752895

IUPACspiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol
SMILESOC1OC2(CCCCC2)Cc2ccccc21
InChIInChI=1S/C14H18O2/c15-13-12-7-3-2-6-11(12)10-14(16-13)8-4-1-5-9-14/h2-3,6-7,13,15H,1,4-5,8-10H2
InChIKeyPWDBZPQTBQPPQZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.95
Rot. Bonds

About spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol

spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol (PubChem CID 2752895) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol.

Molecular Properties

Compound Namespiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol
PubChem CID2752895
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namespiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol
SMILESOC1OC2(CCCCC2)Cc2ccccc21
InChIInChI=1S/C14H18O2/c15-13-12-7-3-2-6-11(12)10-14(16-13)8-4-1-5-9-14/h2-3,6-7,13,15H,1,4-5,8-10H2
InChIKeyPWDBZPQTBQPPQZ-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol?
The IUPAC name of spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol (CID 2752895) is spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol.
What is the SMILES notation for spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol?
The canonical SMILES for spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol is OC1OC2(CCCCC2)Cc2ccccc21.
What is the InChIKey of spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol?
The InChIKey is PWDBZPQTBQPPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-13-12-7-3-2-6-11(12)10-14(16-13)8-4-1-5-9-14/h2-3,6-7,13,15H,1,4-5,8-10H2.
What are the key properties of spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol?
spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,4-dihydroisochromene-3,1'-cyclohexane]-1-ol is sourced from PubChem (CID 2752895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).