(6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol

C22H27NO2 — CID 10315026

IUPAC(6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol
SMILESCO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC/C=C/c1ccccc1
InChIInChI=1S/C22H27NO2/c1-22(2)19-15-18(24)12-11-17(19)14-20(25-3)21(22)23-13-7-10-16-8-5-4-6-9-16/h4-12,15,20-21,23-24H,13-14H2,1-3H3/b10-7+/t20-,21+/m0/s1
InChIKeyOHNURQITZQKALN-KXDZFCSZSA-N
MW337.46 g/mol
LogP3.91
Rot. Bonds5

About (6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol

(6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 10315026) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name(6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID10315026
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol
SMILESCO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC/C=C/c1ccccc1
InChIInChI=1S/C22H27NO2/c1-22(2)19-15-18(24)12-11-17(19)14-20(25-3)21(22)23-13-7-10-16-8-5-4-6-9-16/h4-12,15,20-21,23-24H,13-14H2,1-3H3/b10-7+/t20-,21+/m0/s1
InChIKeyOHNURQITZQKALN-KXDZFCSZSA-N
XLogP3.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of (6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol (CID 10315026) is (6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for (6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for (6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol is CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC/C=C/c1ccccc1.
What is the InChIKey of (6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is OHNURQITZQKALN-KXDZFCSZSA-N. The full InChI is InChI=1S/C22H27NO2/c1-22(2)19-15-18(24)12-11-17(19)14-20(25-3)21(22)23-13-7-10-16-8-5-4-6-9-16/h4-12,15,20-21,23-24H,13-14H2,1-3H3/b10-7+/t20-,21+/m0/s1.
What are the key properties of (6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol?
(6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 337.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-6-methoxy-8,8-dimethyl-7-[[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 10315026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).