(1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol

C23H29NO3 — CID 135618045

IUPAC(1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@H](C)C/N=C/c1ccccc1O)CC2
InChIInChI=1S/C23H29NO3/c1-14-11-21(27-4)16(3)22-18(14)9-10-19(23(22)26)15(2)12-24-13-17-7-5-6-8-20(17)25/h5-8,11,13,15,19,23,25-26H,9-10,12H2,1-4H3/b24-13+/t15-,19+,23-/m1/s1
InChIKeyRCAURQSZEKNVTD-PKIOKFKUSA-N
MW367.49 g/mol
LogP4.37
Rot. Bonds5

About (1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol

(1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 135618045) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID135618045
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@H](C)C/N=C/c1ccccc1O)CC2
InChIInChI=1S/C23H29NO3/c1-14-11-21(27-4)16(3)22-18(14)9-10-19(23(22)26)15(2)12-24-13-17-7-5-6-8-20(17)25/h5-8,11,13,15,19,23,25-26H,9-10,12H2,1-4H3/b24-13+/t15-,19+,23-/m1/s1
InChIKeyRCAURQSZEKNVTD-PKIOKFKUSA-N
XLogP4.37
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 135618045) is (1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol is COc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@H](C)C/N=C/c1ccccc1O)CC2.
What is the InChIKey of (1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is RCAURQSZEKNVTD-PKIOKFKUSA-N. The full InChI is InChI=1S/C23H29NO3/c1-14-11-21(27-4)16(3)22-18(14)9-10-19(23(22)26)15(2)12-24-13-17-7-5-6-8-20(17)25/h5-8,11,13,15,19,23,25-26H,9-10,12H2,1-4H3/b24-13+/t15-,19+,23-/m1/s1.
What are the key properties of (1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 367.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[(2S)-1-[(2-hydroxyphenyl)methylideneamino]propan-2-yl]-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 135618045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).