1-(3-butoxyphenyl)propan-1-ol

C13H20O2 — CID 83953800

IUPAC1-(3-butoxyphenyl)propan-1-ol
SMILESCCCCOc1cccc(C(O)CC)c1
InChIInChI=1S/C13H20O2/c1-3-5-9-15-12-8-6-7-11(10-12)13(14)4-2/h6-8,10,13-14H,3-5,9H2,1-2H3
InChIKeyCPESQMMKARZKRH-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.31
Rot. Bonds6

About 1-(3-butoxyphenyl)propan-1-ol

1-(3-butoxyphenyl)propan-1-ol (PubChem CID 83953800) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(3-butoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-butoxyphenyl)propan-1-ol
PubChem CID83953800
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(3-butoxyphenyl)propan-1-ol
SMILESCCCCOc1cccc(C(O)CC)c1
InChIInChI=1S/C13H20O2/c1-3-5-9-15-12-8-6-7-11(10-12)13(14)4-2/h6-8,10,13-14H,3-5,9H2,1-2H3
InChIKeyCPESQMMKARZKRH-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
2-(3-butoxyphenyl)-2-hydroxyacetonitrile
CID 162514765
3-amino-1-(3-octoxyphenyl)propan-1-ol
CID 130373075
1-[3-(2-phenylmethoxyethoxy)phenyl]propan-1-ol
CID 175772542
2-(ethylamino)-1-(3-octadecoxyphenyl)ethanol
CID 21413933
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol
CID 63365689

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxyphenyl)propan-1-ol?
The IUPAC name of 1-(3-butoxyphenyl)propan-1-ol (CID 83953800) is 1-(3-butoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(3-butoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(3-butoxyphenyl)propan-1-ol is CCCCOc1cccc(C(O)CC)c1.
What is the InChIKey of 1-(3-butoxyphenyl)propan-1-ol?
The InChIKey is CPESQMMKARZKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-5-9-15-12-8-6-7-11(10-12)13(14)4-2/h6-8,10,13-14H,3-5,9H2,1-2H3.
What are the key properties of 1-(3-butoxyphenyl)propan-1-ol?
1-(3-butoxyphenyl)propan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxyphenyl)propan-1-ol is sourced from PubChem (CID 83953800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).