(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol

C20H26O4 — CID 140923051

IUPAC(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol
SMILESCCCCCOc1ccc(C(O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26O4/c1-4-5-6-13-24-17-10-7-15(8-11-17)20(21)16-9-12-18(22-2)19(14-16)23-3/h7-12,14,20-21H,4-6,13H2,1-3H3
InChIKeyDFVLVZXGEJQXGE-UHFFFAOYSA-N
MW330.42 g/mol
LogP4.35
Rot. Bonds9

About (3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol

(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol (PubChem CID 140923051) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol
PubChem CID140923051
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol
SMILESCCCCCOc1ccc(C(O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26O4/c1-4-5-6-13-24-17-10-7-15(8-11-17)20(21)16-9-12-18(22-2)19(14-16)23-3/h7-12,14,20-21H,4-6,13H2,1-3H3
InChIKeyDFVLVZXGEJQXGE-UHFFFAOYSA-N
XLogP4.35
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(4-butoxy-3-methoxyphenyl)methanol
CID 71114416
bis(4-octoxyphenyl)methanol
CID 139262063
1-(4-methoxy-3-pentoxyphenyl)ethanol
CID 91655145
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
(4-butoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 105133325
1-(3-butoxy-4-methoxyphenyl)butan-1-ol
CID 83951524
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
(4-butoxyphenyl)-(3,5-difluorophenyl)methanol
CID 105093285
2-methoxy-1-octadecoxy-4-[4-(4-octadecoxyphenyl)phenyl]benzene
CID 150766167
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
1-(4-butoxyphenyl)propan-1-ol
CID 19979001

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol (CID 140923051) is (3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol is CCCCCOc1ccc(C(O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol?
The InChIKey is DFVLVZXGEJQXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-4-5-6-13-24-17-10-7-15(8-11-17)20(21)16-9-12-18(22-2)19(14-16)23-3/h7-12,14,20-21H,4-6,13H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol?
(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol has a molecular weight of 330.42 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol is sourced from PubChem (CID 140923051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).