(1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene

C23H26Cl2O2 — CID 146608786

IUPAC(1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESC=C(C)[C@@H]1CCc2c(C)cc(OCc3c(Cl)cccc3Cl)c(C)c2[C@@H]1OC
InChIInChI=1S/C23H26Cl2O2/c1-13(2)16-9-10-17-14(3)11-21(15(4)22(17)23(16)26-5)27-12-18-19(24)7-6-8-20(18)25/h6-8,11,16,23H,1,9-10,12H2,2-5H3/t16-,23+/m0/s1
InChIKeyFDUTYTSKJHJKPH-QMHKHESXSA-N
MW405.37 g/mol
LogP7.02
Rot. Bonds5

About (1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene

(1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 146608786) has the molecular formula C23H26Cl2O2 and a molecular weight of 405.37 g/mol. Its IUPAC name is (1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID146608786
Molecular FormulaC23H26Cl2O2
Molecular Weight405.37 g/mol
Exact Mass404.13
IUPAC Name(1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESC=C(C)[C@@H]1CCc2c(C)cc(OCc3c(Cl)cccc3Cl)c(C)c2[C@@H]1OC
InChIInChI=1S/C23H26Cl2O2/c1-13(2)16-9-10-17-14(3)11-21(15(4)22(17)23(16)26-5)27-12-18-19(24)7-6-8-20(18)25/h6-8,11,16,23H,1,9-10,12H2,2-5H3/t16-,23+/m0/s1
InChIKeyFDUTYTSKJHJKPH-QMHKHESXSA-N
XLogP7.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene (CID 146608786) is (1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene is C=C(C)[C@@H]1CCc2c(C)cc(OCc3c(Cl)cccc3Cl)c(C)c2[C@@H]1OC.
What is the InChIKey of (1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is FDUTYTSKJHJKPH-QMHKHESXSA-N. The full InChI is InChI=1S/C23H26Cl2O2/c1-13(2)16-9-10-17-14(3)11-21(15(4)22(17)23(16)26-5)27-12-18-19(24)7-6-8-20(18)25/h6-8,11,16,23H,1,9-10,12H2,2-5H3/t16-,23+/m0/s1.
What are the key properties of (1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene?
(1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 405.37 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-7-[(2,6-dichlorophenyl)methoxy]-1-methoxy-5,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 146608786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).