[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol

C13H20O4 — CID 143066572

IUPAC[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
SMILESCCOc1ccc(CO)cc1OCCCOC
InChIInChI=1S/C13H20O4/c1-3-16-12-6-5-11(10-14)9-13(12)17-8-4-7-15-2/h5-6,9,14H,3-4,7-8,10H2,1-2H3
InChIKeyDNENMJBHSAPILQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.99
Rot. Bonds8

About [4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol

[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol (PubChem CID 143066572) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is [4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
PubChem CID143066572
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
SMILESCCOc1ccc(CO)cc1OCCCOC
InChIInChI=1S/C13H20O4/c1-3-16-12-6-5-11(10-14)9-13(12)17-8-4-7-15-2/h5-6,9,14H,3-4,7-8,10H2,1-2H3
InChIKeyDNENMJBHSAPILQ-UHFFFAOYSA-N
XLogP1.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.99
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

[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54935970
[4-chloro-3-(3-methoxypropoxy)phenyl]methanol
CID 70333908
[4-hexoxy-3-[12-[2-hexoxy-5-(hydroxymethyl)phenoxy]dodecoxy]phenyl]methanol
CID 71341806
[3,4-di(nonoxy)phenyl]methanol
CID 143615493
[3-chloro-4-(4-methoxybutoxy)phenyl]methanol
CID 115777024
4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
CID 63056902
3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
[3-(2-methoxyethoxy)-4-methylphenyl]methanol
CID 118408450
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol?
The IUPAC name of [4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol (CID 143066572) is [4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol.
What is the SMILES notation for [4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol?
The canonical SMILES for [4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol is CCOc1ccc(CO)cc1OCCCOC.
What is the InChIKey of [4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol?
The InChIKey is DNENMJBHSAPILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-3-16-12-6-5-11(10-14)9-13(12)17-8-4-7-15-2/h5-6,9,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of [4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol?
[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol has a molecular weight of 240.30 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol is sourced from PubChem (CID 143066572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).