1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol

C16H22O2 — CID 64514062

IUPAC1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol
SMILESCC1CCC(O)(CC2OCCc3ccccc32)C1
InChIInChI=1S/C16H22O2/c1-12-6-8-16(17,10-12)11-15-14-5-3-2-4-13(14)7-9-18-15/h2-5,12,15,17H,6-11H2,1H3
InChIKeyVUEAHGNYVQJHMC-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.24
Rot. Bonds2

About 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol

1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol (PubChem CID 64514062) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol
PubChem CID64514062
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol
SMILESCC1CCC(O)(CC2OCCc3ccccc32)C1
InChIInChI=1S/C16H22O2/c1-12-6-8-16(17,10-12)11-15-14-5-3-2-4-13(14)7-9-18-15/h2-5,12,15,17H,6-11H2,1H3
InChIKeyVUEAHGNYVQJHMC-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol (CID 64514062) is 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol is CC1CCC(O)(CC2OCCc3ccccc32)C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol?
The InChIKey is VUEAHGNYVQJHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12-6-8-16(17,10-12)11-15-14-5-3-2-4-13(14)7-9-18-15/h2-5,12,15,17H,6-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol?
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylcyclopentan-1-ol is sourced from PubChem (CID 64514062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).