ethane;4-(3-methoxypropoxy)phenol

C14H26O3 — CID 143283309

IUPACethane;4-(3-methoxypropoxy)phenol
SMILESCC.CC.COCCCOc1ccc(O)cc1
InChIInChI=1S/C10H14O3.2C2H6/c1-12-7-2-8-13-10-5-3-9(11)4-6-10;2*1-2/h3-6,11H,2,7-8H2,1H3;2*1-2H3
InChIKeyRBFAOBDARXMCCV-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.86
Rot. Bonds5

About ethane;4-(3-methoxypropoxy)phenol

ethane;4-(3-methoxypropoxy)phenol (PubChem CID 143283309) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethane;4-(3-methoxypropoxy)phenol.

Molecular Properties

Compound Nameethane;4-(3-methoxypropoxy)phenol
PubChem CID143283309
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nameethane;4-(3-methoxypropoxy)phenol
SMILESCC.CC.COCCCOc1ccc(O)cc1
InChIInChI=1S/C10H14O3.2C2H6/c1-12-7-2-8-13-10-5-3-9(11)4-6-10;2*1-2/h3-6,11H,2,7-8H2,1H3;2*1-2H3
InChIKeyRBFAOBDARXMCCV-UHFFFAOYSA-N
XLogP3.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
4-(2-methoxyethoxymethoxy)phenol
CID 21223145
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
4-octadecoxyphenol
CID 22179059
1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene
CID 139799938
1-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 102137908
1-(chloromethyl)-4-(3-methoxypropoxy)benzene
CID 60925978
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
1,4-dibutoxybenzene;phenol
CID 174756360

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-methoxypropoxy)phenol?
The IUPAC name of ethane;4-(3-methoxypropoxy)phenol (CID 143283309) is ethane;4-(3-methoxypropoxy)phenol.
What is the SMILES notation for ethane;4-(3-methoxypropoxy)phenol?
The canonical SMILES for ethane;4-(3-methoxypropoxy)phenol is CC.CC.COCCCOc1ccc(O)cc1.
What is the InChIKey of ethane;4-(3-methoxypropoxy)phenol?
The InChIKey is RBFAOBDARXMCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3.2C2H6/c1-12-7-2-8-13-10-5-3-9(11)4-6-10;2*1-2/h3-6,11H,2,7-8H2,1H3;2*1-2H3.
What are the key properties of ethane;4-(3-methoxypropoxy)phenol?
ethane;4-(3-methoxypropoxy)phenol has a molecular weight of 242.36 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-methoxypropoxy)phenol is sourced from PubChem (CID 143283309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).