(1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol

C17H18O2 — CID 166351230

IUPAC(1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol
SMILESCOCc1cccc(-c2ccc3c(c2)[C@@H](O)CC3)c1
InChIInChI=1S/C17H18O2/c1-19-11-12-3-2-4-14(9-12)15-6-5-13-7-8-17(18)16(13)10-15/h2-6,9-10,17-18H,7-8,11H2,1H3/t17-/m0/s1
InChIKeyLOZUTNRAIKHMBS-KRWDZBQOSA-N
MW254.33 g/mol
LogP3.48
Rot. Bonds3

About (1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol

(1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 166351230) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID166351230
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol
SMILESCOCc1cccc(-c2ccc3c(c2)[C@@H](O)CC3)c1
InChIInChI=1S/C17H18O2/c1-19-11-12-3-2-4-14(9-12)15-6-5-13-7-8-17(18)16(13)10-15/h2-6,9-10,17-18H,7-8,11H2,1H3/t17-/m0/s1
InChIKeyLOZUTNRAIKHMBS-KRWDZBQOSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol (CID 166351230) is (1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol is COCc1cccc(-c2ccc3c(c2)[C@@H](O)CC3)c1.
What is the InChIKey of (1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is LOZUTNRAIKHMBS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18O2/c1-19-11-12-3-2-4-14(9-12)15-6-5-13-7-8-17(18)16(13)10-15/h2-6,9-10,17-18H,7-8,11H2,1H3/t17-/m0/s1.
What are the key properties of (1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol?
(1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 166351230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).