(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol

C17H18O2 — CID 129404140

IUPAC(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)[C@@H](O)[C@H](Cc1ccccc1)C2
InChIInChI=1S/C17H18O2/c1-19-15-8-7-13-10-14(17(18)16(13)11-15)9-12-5-3-2-4-6-12/h2-8,11,14,17-18H,9-10H2,1H3/t14-,17+/m1/s1
InChIKeyNHLGITDEOPOVBN-PBHICJAKSA-N
MW254.33 g/mol
LogP3.14
Rot. Bonds3

About (1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol

(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 129404140) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID129404140
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc2c(c1)[C@@H](O)[C@H](Cc1ccccc1)C2
InChIInChI=1S/C17H18O2/c1-19-15-8-7-13-10-14(17(18)16(13)11-15)9-12-5-3-2-4-6-12/h2-8,11,14,17-18H,9-10H2,1H3/t14-,17+/m1/s1
InChIKeyNHLGITDEOPOVBN-PBHICJAKSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 25270486
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 44582585
4-(4-benzyl-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenol
CID 70854583
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
1-benzyl-8-methoxy-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 70982269
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79374795
2-(4-fluorophenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374018
2-(3,5-dimethylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372409
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79372381
2-benzyl-1-bromo-2,3-dihydro-1H-indene
CID 63470495

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol (CID 129404140) is (1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol is COc1ccc2c(c1)[C@@H](O)[C@H](Cc1ccccc1)C2.
What is the InChIKey of (1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is NHLGITDEOPOVBN-PBHICJAKSA-N. The full InChI is InChI=1S/C17H18O2/c1-19-15-8-7-13-10-14(17(18)16(13)11-15)9-12-5-3-2-4-6-12/h2-8,11,14,17-18H,9-10H2,1H3/t14-,17+/m1/s1.
What are the key properties of (1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol?
(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 129404140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).