1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol

C20H22O — CID 63772638

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol
SMILESOC1(CC2CCCc3ccccc32)CCc2ccccc21
InChIInChI=1S/C20H22O/c21-20(13-12-16-7-2-4-11-19(16)20)14-17-9-5-8-15-6-1-3-10-18(15)17/h1-4,6-7,10-11,17,21H,5,8-9,12-14H2
InChIKeyXNAPGPBSVAOEOU-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.33
Rot. Bonds2

About 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol (PubChem CID 63772638) has the molecular formula C20H22O and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol
PubChem CID63772638
Molecular FormulaC20H22O
Molecular Weight278.39 g/mol
Exact Mass278.17
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol
SMILESOC1(CC2CCCc3ccccc32)CCc2ccccc21
InChIInChI=1S/C20H22O/c21-20(13-12-16-7-2-4-11-19(16)20)14-17-9-5-8-15-6-1-3-10-18(15)17/h1-4,6-7,10-11,17,21H,5,8-9,12-14H2
InChIKeyXNAPGPBSVAOEOU-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol (CID 63772638) is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol is OC1(CC2CCCc3ccccc32)CCc2ccccc21.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol?
The InChIKey is XNAPGPBSVAOEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c21-20(13-12-16-7-2-4-11-19(16)20)14-17-9-5-8-15-6-1-3-10-18(15)17/h1-4,6-7,10-11,17,21H,5,8-9,12-14H2.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol?
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol has a molecular weight of 278.39 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 63772638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).