(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol

C17H17ClO2 — CID 63540494

IUPAC(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccc3c(c2)CCC3)c(Cl)c1
InChIInChI=1S/C17H17ClO2/c1-11(19)13-6-8-17(16(18)10-13)20-15-7-5-12-3-2-4-14(12)9-15/h5-11,19H,2-4H2,1H3/t11-/m1/s1
InChIKeyDQKKZDRSQHYGJH-LLVKDONJSA-N
MW288.77 g/mol
LogP4.67
Rot. Bonds3

About (1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol

(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol (PubChem CID 63540494) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
PubChem CID63540494
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccc3c(c2)CCC3)c(Cl)c1
InChIInChI=1S/C17H17ClO2/c1-11(19)13-6-8-17(16(18)10-13)20-15-7-5-12-3-2-4-14(12)9-15/h5-11,19H,2-4H2,1H3/t11-/m1/s1
InChIKeyDQKKZDRSQHYGJH-LLVKDONJSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78952850
(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
CID 78941541
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
(1S)-1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 78941603
(1R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 55183055
N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine
CID 81152008
6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
CID 143273839
4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide
CID 62911692
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
1-[3-chloro-4-(3-ethoxyphenoxy)phenyl]ethanol
CID 62911183
1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol
CID 116793012

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol (CID 63540494) is (1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol is C[C@@H](O)c1ccc(Oc2ccc3c(c2)CCC3)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol?
The InChIKey is DQKKZDRSQHYGJH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-11(19)13-6-8-17(16(18)10-13)20-15-7-5-12-3-2-4-14(12)9-15/h5-11,19H,2-4H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol?
(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol has a molecular weight of 288.77 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol is sourced from PubChem (CID 63540494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).