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

C16H19NO2 — CID 63893480

IUPAC[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H19NO2/c1-17(2)14-9-7-12(8-10-14)16(18)13-5-4-6-15(11-13)19-3/h4-11,16,18H,1-3H3
InChIKeyMRWLRQNVHXOSED-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.84
Rot. Bonds4

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

[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol (PubChem CID 63893480) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
PubChem CID63893480
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H19NO2/c1-17(2)14-9-7-12(8-10-14)16(18)13-5-4-6-15(11-13)19-3/h4-11,16,18H,1-3H3
InChIKeyMRWLRQNVHXOSED-UHFFFAOYSA-N
XLogP2.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol
CID 105114451
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 63895776
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
(3-methoxyphenyl)-(4-propylphenyl)methanol
CID 61087387
(4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol
CID 106848346
(2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 116809671
1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616993
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
(S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391245

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol?
The IUPAC name of [4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol (CID 63893480) is [4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol?
The canonical SMILES for [4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol is COc1cccc(C(O)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol?
The InChIKey is MRWLRQNVHXOSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17(2)14-9-7-12(8-10-14)16(18)13-5-4-6-15(11-13)19-3/h4-11,16,18H,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol?
[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol has a molecular weight of 257.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol is sourced from PubChem (CID 63893480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).