(1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol

C13H16O — CID 131238223

IUPAC(1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol
SMILESC/C=C\[C@H]1c2ccc(O)cc2C[C@H]1C
InChIInChI=1S/C13H16O/c1-3-4-12-9(2)7-10-8-11(14)5-6-13(10)12/h3-6,8-9,12,14H,7H2,1-2H3/b4-3-/t9-,12-/m1/s1
InChIKeyKEIGFAHXSPWEFO-ZAPKOIMWSA-N
MW188.27 g/mol
LogP3.24
Rot. Bonds1

About (1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol

(1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 131238223) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol
PubChem CID131238223
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol
SMILESC/C=C\[C@H]1c2ccc(O)cc2C[C@H]1C
InChIInChI=1S/C13H16O/c1-3-4-12-9(2)7-10-8-11(14)5-6-13(10)12/h3-6,8-9,12,14H,7H2,1-2H3/b4-3-/t9-,12-/m1/s1
InChIKeyKEIGFAHXSPWEFO-ZAPKOIMWSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol (CID 131238223) is (1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol is C/C=C\[C@H]1c2ccc(O)cc2C[C@H]1C.
What is the InChIKey of (1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is KEIGFAHXSPWEFO-ZAPKOIMWSA-N. The full InChI is InChI=1S/C13H16O/c1-3-4-12-9(2)7-10-8-11(14)5-6-13(10)12/h3-6,8-9,12,14H,7H2,1-2H3/b4-3-/t9-,12-/m1/s1.
What are the key properties of (1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol?
(1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 188.27 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-methyl-1-[(Z)-prop-1-enyl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 131238223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).