1-[4-(3-methoxybutyl)phenyl]propan-2-ol

C14H22O2 — CID 117114468

IUPAC1-[4-(3-methoxybutyl)phenyl]propan-2-ol
SMILESCOC(C)CCc1ccc(CC(C)O)cc1
InChIInChI=1S/C14H22O2/c1-11(15)10-14-8-6-13(7-9-14)5-4-12(2)16-3/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyGFZDZPOATQLMPM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.58
Rot. Bonds6

About 1-[4-(3-methoxybutyl)phenyl]propan-2-ol

1-[4-(3-methoxybutyl)phenyl]propan-2-ol (PubChem CID 117114468) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[4-(3-methoxybutyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(3-methoxybutyl)phenyl]propan-2-ol
PubChem CID117114468
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-[4-(3-methoxybutyl)phenyl]propan-2-ol
SMILESCOC(C)CCc1ccc(CC(C)O)cc1
InChIInChI=1S/C14H22O2/c1-11(15)10-14-8-6-13(7-9-14)5-4-12(2)16-3/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyGFZDZPOATQLMPM-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3-methoxybutyl)phenyl]propanoic acid
CID 117114845
2-[4-(3-methoxybutyl)phenyl]ethanamine
CID 117110832
4-(3-methoxybutyl)benzoic acid
CID 117111500
2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol
CID 117115408
2-[4-(3-methoxybutyl)phenyl]-2-oxoacetic acid
CID 117109018
1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol
CID 117322250
4-(2-hydroxypropyl)benzonitrile
CID 66671297
3-[4-(2-methoxypropyl)phenyl]propan-1-amine
CID 117296745
5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 105088105
4-[4-(6-methoxyheptyl)phenyl]phenol
CID 139651988
1-[4-(4-methoxybutoxy)phenyl]propan-2-ol
CID 104648035
1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol
CID 117114478

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxybutyl)phenyl]propan-2-ol?
The IUPAC name of 1-[4-(3-methoxybutyl)phenyl]propan-2-ol (CID 117114468) is 1-[4-(3-methoxybutyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(3-methoxybutyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-(3-methoxybutyl)phenyl]propan-2-ol is COC(C)CCc1ccc(CC(C)O)cc1.
What is the InChIKey of 1-[4-(3-methoxybutyl)phenyl]propan-2-ol?
The InChIKey is GFZDZPOATQLMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(15)10-14-8-6-13(7-9-14)5-4-12(2)16-3/h6-9,11-12,15H,4-5,10H2,1-3H3.
What are the key properties of 1-[4-(3-methoxybutyl)phenyl]propan-2-ol?
1-[4-(3-methoxybutyl)phenyl]propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxybutyl)phenyl]propan-2-ol is sourced from PubChem (CID 117114468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).