(S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol

C18H23NO3 — CID 129391245

IUPAC(S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol
SMILESCCOc1cc([C@@H](O)c2ccc(N(C)C)cc2)ccc1OC
InChIInChI=1S/C18H23NO3/c1-5-22-17-12-14(8-11-16(17)21-4)18(20)13-6-9-15(10-7-13)19(2)3/h6-12,18,20H,5H2,1-4H3/t18-/m0/s1
InChIKeyZZVKIBNGJNMNAJ-SFHVURJKSA-N
MW301.39 g/mol
LogP3.24
Rot. Bonds6

About (S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol

(S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol (PubChem CID 129391245) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol
PubChem CID129391245
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol
SMILESCCOc1cc([C@@H](O)c2ccc(N(C)C)cc2)ccc1OC
InChIInChI=1S/C18H23NO3/c1-5-22-17-12-14(8-11-16(17)21-4)18(20)13-6-9-15(10-7-13)19(2)3/h6-12,18,20H,5H2,1-4H3/t18-/m0/s1
InChIKeyZZVKIBNGJNMNAJ-SFHVURJKSA-N
XLogP3.24
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391240
(3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol
CID 69205838
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
CID 170819078
(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 63895776
1,3-dioxol-4-yl-(3-ethoxy-4-methoxyphenyl)methanol
CID 141140451
1-[[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3402822
[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
CID 63893480
3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825210
1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39423555

Frequently Asked Questions

What is the IUPAC name of (S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol?
The IUPAC name of (S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol (CID 129391245) is (S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol.
What is the SMILES notation for (S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol?
The canonical SMILES for (S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol is CCOc1cc([C@@H](O)c2ccc(N(C)C)cc2)ccc1OC.
What is the InChIKey of (S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol?
The InChIKey is ZZVKIBNGJNMNAJ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23NO3/c1-5-22-17-12-14(8-11-16(17)21-4)18(20)13-6-9-15(10-7-13)19(2)3/h6-12,18,20H,5H2,1-4H3/t18-/m0/s1.
What are the key properties of (S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol?
(S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol has a molecular weight of 301.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol is sourced from PubChem (CID 129391245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).