1-(4-methoxyphenyl)hexan-2-ol

C13H20O2 — CID 62608607

IUPAC1-(4-methoxyphenyl)hexan-2-ol
SMILESCCCCC(O)Cc1ccc(OC)cc1
InChIInChI=1S/C13H20O2/c1-3-4-5-12(14)10-11-6-8-13(15-2)9-7-11/h6-9,12,14H,3-5,10H2,1-2H3
InChIKeyVEZNNZCTETVFDQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.79
Rot. Bonds6

About 1-(4-methoxyphenyl)hexan-2-ol

1-(4-methoxyphenyl)hexan-2-ol (PubChem CID 62608607) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)hexan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)hexan-2-ol
PubChem CID62608607
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(4-methoxyphenyl)hexan-2-ol
SMILESCCCCC(O)Cc1ccc(OC)cc1
InChIInChI=1S/C13H20O2/c1-3-4-5-12(14)10-11-6-8-13(15-2)9-7-11/h6-9,12,14H,3-5,10H2,1-2H3
InChIKeyVEZNNZCTETVFDQ-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
9-hydroxy-10-(4-methoxyphenyl)decan-5-one
CID 101095744
4-ethoxy-1-(4-methoxyphenyl)butan-2-ol
CID 62606919
1-(2-bromohexyl)-4-methoxybenzene
CID 63543278
1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
1-(4-methoxyphenyl)non-4-yn-2-ol
CID 15536527
2-[(4-methoxyphenyl)methyl]hexanenitrile
CID 132506369
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331
(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol
CID 154712075
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)hexan-2-ol?
The IUPAC name of 1-(4-methoxyphenyl)hexan-2-ol (CID 62608607) is 1-(4-methoxyphenyl)hexan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)hexan-2-ol?
The canonical SMILES for 1-(4-methoxyphenyl)hexan-2-ol is CCCCC(O)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)hexan-2-ol?
The InChIKey is VEZNNZCTETVFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-4-5-12(14)10-11-6-8-13(15-2)9-7-11/h6-9,12,14H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)hexan-2-ol?
1-(4-methoxyphenyl)hexan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)hexan-2-ol is sourced from PubChem (CID 62608607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).