1-(1H-inden-5-yl)-5-phenylpentan-3-ol

C20H22O — CID 59107842

IUPAC1-(1H-inden-5-yl)-5-phenylpentan-3-ol
SMILESOC(CCc1ccccc1)CCc1ccc2c(c1)C=CC2
InChIInChI=1S/C20H22O/c21-20(13-10-16-5-2-1-3-6-16)14-11-17-9-12-18-7-4-8-19(18)15-17/h1-6,8-9,12,15,20-21H,7,10-11,13-14H2
InChIKeyIEBGZWCBHUHBAD-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.18
Rot. Bonds6

About 1-(1H-inden-5-yl)-5-phenylpentan-3-ol

1-(1H-inden-5-yl)-5-phenylpentan-3-ol (PubChem CID 59107842) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1H-inden-5-yl)-5-phenylpentan-3-ol.

Molecular Properties

Compound Name1-(1H-inden-5-yl)-5-phenylpentan-3-ol
PubChem CID59107842
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name1-(1H-inden-5-yl)-5-phenylpentan-3-ol
SMILESOC(CCc1ccccc1)CCc1ccc2c(c1)C=CC2
InChIInChI=1S/C20H22O/c21-20(13-10-16-5-2-1-3-6-16)14-11-17-9-12-18-7-4-8-19(18)15-17/h1-6,8-9,12,15,20-21H,7,10-11,13-14H2
InChIKeyIEBGZWCBHUHBAD-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-inden-5-yl)-5-phenylpentan-3-ol?
The IUPAC name of 1-(1H-inden-5-yl)-5-phenylpentan-3-ol (CID 59107842) is 1-(1H-inden-5-yl)-5-phenylpentan-3-ol.
What is the SMILES notation for 1-(1H-inden-5-yl)-5-phenylpentan-3-ol?
The canonical SMILES for 1-(1H-inden-5-yl)-5-phenylpentan-3-ol is OC(CCc1ccccc1)CCc1ccc2c(c1)C=CC2.
What is the InChIKey of 1-(1H-inden-5-yl)-5-phenylpentan-3-ol?
The InChIKey is IEBGZWCBHUHBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c21-20(13-10-16-5-2-1-3-6-16)14-11-17-9-12-18-7-4-8-19(18)15-17/h1-6,8-9,12,15,20-21H,7,10-11,13-14H2.
What are the key properties of 1-(1H-inden-5-yl)-5-phenylpentan-3-ol?
1-(1H-inden-5-yl)-5-phenylpentan-3-ol has a molecular weight of 278.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-inden-5-yl)-5-phenylpentan-3-ol is sourced from PubChem (CID 59107842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).