(1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol

C15H21ClO2 — CID 18608870

IUPAC(1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol
SMILESCC(C)[C@]1(CCO)c2ccc(Cl)cc2CC[C@@H]1O
InChIInChI=1S/C15H21ClO2/c1-10(2)15(7-8-17)13-5-4-12(16)9-11(13)3-6-14(15)18/h4-5,9-10,14,17-18H,3,6-8H2,1-2H3/t14-,15+/m0/s1
InChIKeyFMKGOSUBLOFRLD-LSDHHAIUSA-N
MW268.78 g/mol
LogP2.92
Rot. Bonds3

About (1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol

(1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol (PubChem CID 18608870) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is (1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol.

Molecular Properties

Compound Name(1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol
PubChem CID18608870
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name(1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol
SMILESCC(C)[C@]1(CCO)c2ccc(Cl)cc2CC[C@@H]1O
InChIInChI=1S/C15H21ClO2/c1-10(2)15(7-8-17)13-5-4-12(16)9-11(13)3-6-14(15)18/h4-5,9-10,14,17-18H,3,6-8H2,1-2H3/t14-,15+/m0/s1
InChIKeyFMKGOSUBLOFRLD-LSDHHAIUSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol?
The IUPAC name of (1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol (CID 18608870) is (1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol.
What is the SMILES notation for (1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol?
The canonical SMILES for (1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol is CC(C)[C@]1(CCO)c2ccc(Cl)cc2CC[C@@H]1O.
What is the InChIKey of (1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol?
The InChIKey is FMKGOSUBLOFRLD-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-10(2)15(7-8-17)13-5-4-12(16)9-11(13)3-6-14(15)18/h4-5,9-10,14,17-18H,3,6-8H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol?
(1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol has a molecular weight of 268.78 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-6-chloro-1-(2-hydroxyethyl)-1-propan-2-yl-3,4-dihydro-2H-naphthalen-2-ol is sourced from PubChem (CID 18608870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).