(1S)-5-methyl-3-phenyl-1H-inden-1-ol

C16H14O — CID 12071705

IUPAC(1S)-5-methyl-3-phenyl-1H-inden-1-ol
SMILESCc1ccc2c(c1)C(c1ccccc1)=C[C@@H]2O
InChIInChI=1S/C16H14O/c1-11-7-8-13-15(9-11)14(10-16(13)17)12-5-3-2-4-6-12/h2-10,16-17H,1H3/t16-/m0/s1
InChIKeyWEKSEMHQTYUZNT-INIZCTEOSA-N
MW222.29 g/mol
LogP3.47
Rot. Bonds1

About (1S)-5-methyl-3-phenyl-1H-inden-1-ol

(1S)-5-methyl-3-phenyl-1H-inden-1-ol (PubChem CID 12071705) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is (1S)-5-methyl-3-phenyl-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-5-methyl-3-phenyl-1H-inden-1-ol
PubChem CID12071705
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name(1S)-5-methyl-3-phenyl-1H-inden-1-ol
SMILESCc1ccc2c(c1)C(c1ccccc1)=C[C@@H]2O
InChIInChI=1S/C16H14O/c1-11-7-8-13-15(9-11)14(10-16(13)17)12-5-3-2-4-6-12/h2-10,16-17H,1H3/t16-/m0/s1
InChIKeyWEKSEMHQTYUZNT-INIZCTEOSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-methyl-3-phenyl-1H-inden-1-ol?
The IUPAC name of (1S)-5-methyl-3-phenyl-1H-inden-1-ol (CID 12071705) is (1S)-5-methyl-3-phenyl-1H-inden-1-ol.
What is the SMILES notation for (1S)-5-methyl-3-phenyl-1H-inden-1-ol?
The canonical SMILES for (1S)-5-methyl-3-phenyl-1H-inden-1-ol is Cc1ccc2c(c1)C(c1ccccc1)=C[C@@H]2O.
What is the InChIKey of (1S)-5-methyl-3-phenyl-1H-inden-1-ol?
The InChIKey is WEKSEMHQTYUZNT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14O/c1-11-7-8-13-15(9-11)14(10-16(13)17)12-5-3-2-4-6-12/h2-10,16-17H,1H3/t16-/m0/s1.
What are the key properties of (1S)-5-methyl-3-phenyl-1H-inden-1-ol?
(1S)-5-methyl-3-phenyl-1H-inden-1-ol has a molecular weight of 222.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-methyl-3-phenyl-1H-inden-1-ol is sourced from PubChem (CID 12071705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).