(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol

C17H21NO3 — CID 63895776

IUPAC(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
SMILESCOc1ccc(OC)c(C(O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H21NO3/c1-18(2)13-7-5-12(6-8-13)17(19)15-11-14(20-3)9-10-16(15)21-4/h5-11,17,19H,1-4H3
InChIKeyQXTLKXBFRZDQHM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.85
Rot. Bonds5

About (2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol

(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol (PubChem CID 63895776) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
PubChem CID63895776
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
SMILESCOc1ccc(OC)c(C(O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H21NO3/c1-18(2)13-7-5-12(6-8-13)17(19)15-11-14(20-3)9-10-16(15)21-4/h5-11,17,19H,1-4H3
InChIKeyQXTLKXBFRZDQHM-UHFFFAOYSA-N
XLogP2.85
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.85
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

[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
CID 63893480
(3,5-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 61100568
1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol
CID 61099714
(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol
CID 81447590
[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 82805394
(2,5-dimethoxyphenyl)-(3-methylphenyl)methanol
CID 61099011
(2,5-dimethoxyphenyl)-(3-fluorophenyl)methanol
CID 61099370
(S)-[4-(dimethylamino)phenyl]-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391245
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192
(2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol
CID 79684219
1-[(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylic acid
CID 4242263
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol?
The IUPAC name of (2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol (CID 63895776) is (2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol?
The canonical SMILES for (2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol is COc1ccc(OC)c(C(O)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol?
The InChIKey is QXTLKXBFRZDQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18(2)13-7-5-12(6-8-13)17(19)15-11-14(20-3)9-10-16(15)21-4/h5-11,17,19H,1-4H3.
What are the key properties of (2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol?
(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol has a molecular weight of 287.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 63895776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).