1H-indene;3-phenylpropan-1-ol

C18H20O — CID 174361450

IUPAC1H-indene;3-phenylpropan-1-ol
SMILESC1=Cc2ccccc2C1.OCCCc1ccccc1
InChIInChI=1S/C9H12O.C9H8/c10-8-4-7-9-5-2-1-3-6-9;1-2-5-9-7-3-6-8(9)4-1/h1-3,5-6,10H,4,7-8H2;1-6H,7H2
InChIKeyPJFNVXMUEDTNPO-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.87
Rot. Bonds3

About 1H-indene;3-phenylpropan-1-ol

1H-indene;3-phenylpropan-1-ol (PubChem CID 174361450) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1H-indene;3-phenylpropan-1-ol.

Molecular Properties

Compound Name1H-indene;3-phenylpropan-1-ol
PubChem CID174361450
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1H-indene;3-phenylpropan-1-ol
SMILESC1=Cc2ccccc2C1.OCCCc1ccccc1
InChIInChI=1S/C9H12O.C9H8/c10-8-4-7-9-5-2-1-3-6-9;1-2-5-9-7-3-6-8(9)4-1/h1-3,5-6,10H,4,7-8H2;1-6H,7H2
InChIKeyPJFNVXMUEDTNPO-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-indene;3-phenylpropan-1-ol?
The IUPAC name of 1H-indene;3-phenylpropan-1-ol (CID 174361450) is 1H-indene;3-phenylpropan-1-ol.
What is the SMILES notation for 1H-indene;3-phenylpropan-1-ol?
The canonical SMILES for 1H-indene;3-phenylpropan-1-ol is C1=Cc2ccccc2C1.OCCCc1ccccc1.
What is the InChIKey of 1H-indene;3-phenylpropan-1-ol?
The InChIKey is PJFNVXMUEDTNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C9H8/c10-8-4-7-9-5-2-1-3-6-9;1-2-5-9-7-3-6-8(9)4-1/h1-3,5-6,10H,4,7-8H2;1-6H,7H2.
What are the key properties of 1H-indene;3-phenylpropan-1-ol?
1H-indene;3-phenylpropan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indene;3-phenylpropan-1-ol is sourced from PubChem (CID 174361450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).