1-(3-methylphenyl)-3-propoxypropan-1-ol

C13H20O2 — CID 105077821

IUPAC1-(3-methylphenyl)-3-propoxypropan-1-ol
SMILESCCCOCCC(O)c1cccc(C)c1
InChIInChI=1S/C13H20O2/c1-3-8-15-9-7-13(14)12-6-4-5-11(2)10-12/h4-6,10,13-14H,3,7-9H2,1-2H3
InChIKeyHONGSTWOSYTKFC-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.85
Rot. Bonds6

About 1-(3-methylphenyl)-3-propoxypropan-1-ol

1-(3-methylphenyl)-3-propoxypropan-1-ol (PubChem CID 105077821) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-propoxypropan-1-ol.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-propoxypropan-1-ol
PubChem CID105077821
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(3-methylphenyl)-3-propoxypropan-1-ol
SMILESCCCOCCC(O)c1cccc(C)c1
InChIInChI=1S/C13H20O2/c1-3-8-15-9-7-13(14)12-6-4-5-11(2)10-12/h4-6,10,13-14H,3,7-9H2,1-2H3
InChIKeyHONGSTWOSYTKFC-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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

3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-ol
CID 115001890
2-(3-methylphenyl)-4-propoxybutan-1-ol
CID 106459483
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
[1-(3-methylphenyl)-3-propoxypropyl]hydrazine
CID 105284873
1-(3-methylphenyl)decan-1-ol
CID 63411280
4-methoxy-1-(3-methylphenyl)butan-1-ol
CID 62608574
1-(3-cyclopropyloxyphenyl)-3-propoxypropan-1-ol
CID 105131518
1-(3-methylphenyl)-2-octoxyethanol
CID 55193418
(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452285
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
CID 114473799
1-(3-methylphenyl)-1-propoxypropan-2-one
CID 83225723

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-propoxypropan-1-ol?
The IUPAC name of 1-(3-methylphenyl)-3-propoxypropan-1-ol (CID 105077821) is 1-(3-methylphenyl)-3-propoxypropan-1-ol.
What is the SMILES notation for 1-(3-methylphenyl)-3-propoxypropan-1-ol?
The canonical SMILES for 1-(3-methylphenyl)-3-propoxypropan-1-ol is CCCOCCC(O)c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-propoxypropan-1-ol?
The InChIKey is HONGSTWOSYTKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-8-15-9-7-13(14)12-6-4-5-11(2)10-12/h4-6,10,13-14H,3,7-9H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-3-propoxypropan-1-ol?
1-(3-methylphenyl)-3-propoxypropan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-propoxypropan-1-ol is sourced from PubChem (CID 105077821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).