1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol

C16H24O3 — CID 69097328

IUPAC1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
SMILESCCCOc1cccc(OCC2(O)CCCCC2)c1
InChIInChI=1S/C16H24O3/c1-2-11-18-14-7-6-8-15(12-14)19-13-16(17)9-4-3-5-10-16/h6-8,12,17H,2-5,9-11,13H2,1H3
InChIKeyZYEORWAGQRCRJC-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.55
Rot. Bonds6

About 1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol

1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol (PubChem CID 69097328) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
PubChem CID69097328
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
SMILESCCCOc1cccc(OCC2(O)CCCCC2)c1
InChIInChI=1S/C16H24O3/c1-2-11-18-14-7-6-8-15(12-14)19-13-16(17)9-4-3-5-10-16/h6-8,12,17H,2-5,9-11,13H2,1H3
InChIKeyZYEORWAGQRCRJC-UHFFFAOYSA-N
XLogP3.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-propoxyphenoxy)methyl]cyclopentan-1-ol
CID 69097510
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
1-[(3-butylphenoxy)methyl]cycloheptan-1-ol
CID 69097308
1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
CID 65213847
1-[3-[(1-hydroxycycloheptyl)methoxy]phenyl]butan-1-one
CID 69097313
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208592
1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65212811
3-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213745
1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208482
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480
1-(naphthalen-2-yloxymethyl)cyclohexan-1-ol
CID 65213943

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol (CID 69097328) is 1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol is CCCOc1cccc(OCC2(O)CCCCC2)c1.
What is the InChIKey of 1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol?
The InChIKey is ZYEORWAGQRCRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-2-11-18-14-7-6-8-15(12-14)19-13-16(17)9-4-3-5-10-16/h6-8,12,17H,2-5,9-11,13H2,1H3.
What are the key properties of 1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol?
1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol is sourced from PubChem (CID 69097328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).