3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol

C16H26O5 — CID 139985917

IUPAC3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol
SMILESCOC(OC)C(c1ccc(CCCO)cc1)C(OC)OC
InChIInChI=1S/C16H26O5/c1-18-15(19-2)14(16(20-3)21-4)13-9-7-12(8-10-13)6-5-11-17/h7-10,14-17H,5-6,11H2,1-4H3
InChIKeyDXXXKBZRNVVDCJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.93
Rot. Bonds10

About 3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol

3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol (PubChem CID 139985917) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol
PubChem CID139985917
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol
SMILESCOC(OC)C(c1ccc(CCCO)cc1)C(OC)OC
InChIInChI=1S/C16H26O5/c1-18-15(19-2)14(16(20-3)21-4)13-9-7-12(8-10-13)6-5-11-17/h7-10,14-17H,5-6,11H2,1-4H3
InChIKeyDXXXKBZRNVVDCJ-UHFFFAOYSA-N
XLogP1.93
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
CID 91082526
methyl (2R)-2-[4-(4-hydroxybutyl)phenyl]propanoate
CID 129363390
methyl (2S)-2-[4-(4-hydroxybutyl)phenyl]pentanoate
CID 129385029
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990
3-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol
CID 117117603
3-[4-(diethylaminomethyl)phenyl]propan-1-ol
CID 117316981
[[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate
CID 70522691
3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol
CID 54337384
1-butyl-4-(1-methoxypropyl)benzene
CID 123986440
1-butyl-4-(1-methoxyethyl)benzene
CID 143934734
1-[4-(3-hydroxypropyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890551
3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid
CID 117115833

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol?
The IUPAC name of 3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol (CID 139985917) is 3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol?
The canonical SMILES for 3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol is COC(OC)C(c1ccc(CCCO)cc1)C(OC)OC.
What is the InChIKey of 3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol?
The InChIKey is DXXXKBZRNVVDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-18-15(19-2)14(16(20-3)21-4)13-9-7-12(8-10-13)6-5-11-17/h7-10,14-17H,5-6,11H2,1-4H3.
What are the key properties of 3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol?
3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol has a molecular weight of 298.38 g/mol, XLogP of 1.93, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol is sourced from PubChem (CID 139985917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).