(1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol

C14H18O2 — CID 67811616

IUPAC(1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol
SMILESCOC1(c2cccc3c2CC[C@@H]3O)CCC1
InChIInChI=1S/C14H18O2/c1-16-14(8-3-9-14)12-5-2-4-11-10(12)6-7-13(11)15/h2,4-5,13,15H,3,6-9H2,1H3/t13-/m0/s1
InChIKeyYUJZNZGYIYYDIN-ZDUSSCGKSA-N
MW218.30 g/mol
LogP2.69
Rot. Bonds2

About (1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol

(1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 67811616) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID67811616
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol
SMILESCOC1(c2cccc3c2CC[C@@H]3O)CCC1
InChIInChI=1S/C14H18O2/c1-16-14(8-3-9-14)12-5-2-4-11-10(12)6-7-13(11)15/h2,4-5,13,15H,3,6-9H2,1H3/t13-/m0/s1
InChIKeyYUJZNZGYIYYDIN-ZDUSSCGKSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol (CID 67811616) is (1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol is COC1(c2cccc3c2CC[C@@H]3O)CCC1.
What is the InChIKey of (1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is YUJZNZGYIYYDIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18O2/c1-16-14(8-3-9-14)12-5-2-4-11-10(12)6-7-13(11)15/h2,4-5,13,15H,3,6-9H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol?
(1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 67811616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).