bis(4-butoxy-3-methoxyphenyl)methanol

C23H32O5 — CID 71114416

IUPACbis(4-butoxy-3-methoxyphenyl)methanol
SMILESCCCCOc1ccc(C(O)c2ccc(OCCCC)c(OC)c2)cc1OC
InChIInChI=1S/C23H32O5/c1-5-7-13-27-19-11-9-17(15-21(19)25-3)23(24)18-10-12-20(22(16-18)26-4)28-14-8-6-2/h9-12,15-16,23-24H,5-8,13-14H2,1-4H3
InChIKeyPHWGMWWCJSKSDH-UHFFFAOYSA-N
MW388.50 g/mol
LogP5.14
Rot. Bonds12

About bis(4-butoxy-3-methoxyphenyl)methanol

bis(4-butoxy-3-methoxyphenyl)methanol (PubChem CID 71114416) has the molecular formula C23H32O5 and a molecular weight of 388.50 g/mol. Its IUPAC name is bis(4-butoxy-3-methoxyphenyl)methanol.

Molecular Properties

Compound Namebis(4-butoxy-3-methoxyphenyl)methanol
PubChem CID71114416
Molecular FormulaC23H32O5
Molecular Weight388.50 g/mol
Exact Mass388.22
IUPAC Namebis(4-butoxy-3-methoxyphenyl)methanol
SMILESCCCCOc1ccc(C(O)c2ccc(OCCCC)c(OC)c2)cc1OC
InChIInChI=1S/C23H32O5/c1-5-7-13-27-19-11-9-17(15-21(19)25-3)23(24)18-10-12-20(22(16-18)26-4)28-14-8-6-2/h9-12,15-16,23-24H,5-8,13-14H2,1-4H3
InChIKeyPHWGMWWCJSKSDH-UHFFFAOYSA-N
XLogP5.14
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol
CID 140923051
1-(3-butoxy-4-methoxyphenyl)butan-1-ol
CID 83951524
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
(2R)-2-amino-2-(4-butoxy-3-methoxyphenyl)acetic acid
CID 7139531
1-(4-methoxy-3-pentoxyphenyl)ethanol
CID 91655145
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483
1-butoxy-3-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propan-2-ol
CID 107263386
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
CID 106453708
2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 16641918
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butan-1-ol
CID 55188992

Frequently Asked Questions

What is the IUPAC name of bis(4-butoxy-3-methoxyphenyl)methanol?
The IUPAC name of bis(4-butoxy-3-methoxyphenyl)methanol (CID 71114416) is bis(4-butoxy-3-methoxyphenyl)methanol.
What is the SMILES notation for bis(4-butoxy-3-methoxyphenyl)methanol?
The canonical SMILES for bis(4-butoxy-3-methoxyphenyl)methanol is CCCCOc1ccc(C(O)c2ccc(OCCCC)c(OC)c2)cc1OC.
What is the InChIKey of bis(4-butoxy-3-methoxyphenyl)methanol?
The InChIKey is PHWGMWWCJSKSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O5/c1-5-7-13-27-19-11-9-17(15-21(19)25-3)23(24)18-10-12-20(22(16-18)26-4)28-14-8-6-2/h9-12,15-16,23-24H,5-8,13-14H2,1-4H3.
What are the key properties of bis(4-butoxy-3-methoxyphenyl)methanol?
bis(4-butoxy-3-methoxyphenyl)methanol has a molecular weight of 388.50 g/mol, XLogP of 5.14, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-butoxy-3-methoxyphenyl)methanol is sourced from PubChem (CID 71114416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).