[4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol

C17H20O4 — CID 118229829

IUPAC[4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol
SMILESCC(COc1ccc(CO)cc1)Oc1ccc(CO)cc1
InChIInChI=1S/C17H20O4/c1-13(21-17-8-4-15(11-19)5-9-17)12-20-16-6-2-14(10-18)3-7-16/h2-9,13,18-19H,10-12H2,1H3
InChIKeyGWPONRVFFWRUPW-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.52
Rot. Bonds7

About [4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol

[4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol (PubChem CID 118229829) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is [4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol
PubChem CID118229829
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name[4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol
SMILESCC(COc1ccc(CO)cc1)Oc1ccc(CO)cc1
InChIInChI=1S/C17H20O4/c1-13(21-17-8-4-15(11-19)5-9-17)12-20-16-6-2-14(10-18)3-7-16/h2-9,13,18-19H,10-12H2,1H3
InChIKeyGWPONRVFFWRUPW-UHFFFAOYSA-N
XLogP2.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol
CID 124567142
(3S)-3-[4-(hydroxymethyl)phenoxy]butanoic acid
CID 103547969
2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol
CID 175332290
2-(ethylamino)-3-[4-(hydroxymethyl)phenoxy]propan-1-ol
CID 64808726
3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64810173
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide
CID 114987511
2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082830
2-[4-(hydroxymethyl)phenoxy]-3-methylbutanoic acid
CID 60705654
(2S)-2-methoxy-3-[4-[2-(4-phenoxyphenoxy)propoxy]phenyl]propanoic acid
CID 69422745
[4-(methoxymethoxy)phenyl]methanol
CID 11607984
[4-(1-cyclohexylethoxy)phenyl]methanol
CID 68815340

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol?
The IUPAC name of [4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol (CID 118229829) is [4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol?
The canonical SMILES for [4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol is CC(COc1ccc(CO)cc1)Oc1ccc(CO)cc1.
What is the InChIKey of [4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol?
The InChIKey is GWPONRVFFWRUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-13(21-17-8-4-15(11-19)5-9-17)12-20-16-6-2-14(10-18)3-7-16/h2-9,13,18-19H,10-12H2,1H3.
What are the key properties of [4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol?
[4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol has a molecular weight of 288.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol is sourced from PubChem (CID 118229829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).