[(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol

C14H19ClO3 — CID 118903559

IUPAC[(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESCOC(OC)[C@@]1(CO)CCCc2cc(Cl)ccc21
InChIInChI=1S/C14H19ClO3/c1-17-13(18-2)14(9-16)7-3-4-10-8-11(15)5-6-12(10)14/h5-6,8,13,16H,3-4,7,9H2,1-2H3/t14-/m1/s1
InChIKeyFFOGPJSXIZQGIV-CQSZACIVSA-N
MW270.76 g/mol
LogP2.53
Rot. Bonds4

About [(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol

[(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol (PubChem CID 118903559) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is [(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
PubChem CID118903559
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name[(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESCOC(OC)[C@@]1(CO)CCCc2cc(Cl)ccc21
InChIInChI=1S/C14H19ClO3/c1-17-13(18-2)14(9-16)7-3-4-10-8-11(15)5-6-12(10)14/h5-6,8,13,16H,3-4,7,9H2,1-2H3/t14-/m1/s1
InChIKeyFFOGPJSXIZQGIV-CQSZACIVSA-N
XLogP2.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The IUPAC name of [(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol (CID 118903559) is [(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol.
What is the SMILES notation for [(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The canonical SMILES for [(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol is COC(OC)[C@@]1(CO)CCCc2cc(Cl)ccc21.
What is the InChIKey of [(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The InChIKey is FFOGPJSXIZQGIV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-17-13(18-2)14(9-16)7-3-4-10-8-11(15)5-6-12(10)14/h5-6,8,13,16H,3-4,7,9H2,1-2H3/t14-/m1/s1.
What are the key properties of [(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
[(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol has a molecular weight of 270.76 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 118903559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).