3-(4-methylphenoxy)propoxy-phenylmethanol

C17H20O3 — CID 57023348

IUPAC3-(4-methylphenoxy)propoxy-phenylmethanol
SMILESCc1ccc(OCCCOC(O)c2ccccc2)cc1
InChIInChI=1S/C17H20O3/c1-14-8-10-16(11-9-14)19-12-5-13-20-17(18)15-6-3-2-4-7-15/h2-4,6-11,17-18H,5,12-13H2,1H3
InChIKeyJZNYIPISHQMAHP-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.47
Rot. Bonds7

About 3-(4-methylphenoxy)propoxy-phenylmethanol

3-(4-methylphenoxy)propoxy-phenylmethanol (PubChem CID 57023348) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-(4-methylphenoxy)propoxy-phenylmethanol.

Molecular Properties

Compound Name3-(4-methylphenoxy)propoxy-phenylmethanol
PubChem CID57023348
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name3-(4-methylphenoxy)propoxy-phenylmethanol
SMILESCc1ccc(OCCCOC(O)c2ccccc2)cc1
InChIInChI=1S/C17H20O3/c1-14-8-10-16(11-9-14)19-12-5-13-20-17(18)15-6-3-2-4-7-15/h2-4,6-11,17-18H,5,12-13H2,1H3
InChIKeyJZNYIPISHQMAHP-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octadecoxy(phenyl)methanol
CID 141167921
nonoxy(phenyl)methanol
CID 70405769
(4-methylphenyl)-propoxymethanol
CID 142200249
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733
2-hydroxy-5-(4-methylphenoxy)pentanoic acid
CID 69033071
2-(4-methylphenyl)-5-phenoxypentan-1-ol
CID 79437004
1-methyl-4-(3-phenoxypropylsulfanyl)benzene
CID 101473758
[4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine
CID 43254276
CID 163902651
CID 163902651
cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol
CID 144757762
3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide
CID 119950794

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)propoxy-phenylmethanol?
The IUPAC name of 3-(4-methylphenoxy)propoxy-phenylmethanol (CID 57023348) is 3-(4-methylphenoxy)propoxy-phenylmethanol.
What is the SMILES notation for 3-(4-methylphenoxy)propoxy-phenylmethanol?
The canonical SMILES for 3-(4-methylphenoxy)propoxy-phenylmethanol is Cc1ccc(OCCCOC(O)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)propoxy-phenylmethanol?
The InChIKey is JZNYIPISHQMAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-14-8-10-16(11-9-14)19-12-5-13-20-17(18)15-6-3-2-4-7-15/h2-4,6-11,17-18H,5,12-13H2,1H3.
What are the key properties of 3-(4-methylphenoxy)propoxy-phenylmethanol?
3-(4-methylphenoxy)propoxy-phenylmethanol has a molecular weight of 272.34 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)propoxy-phenylmethanol is sourced from PubChem (CID 57023348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).