[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol

C15H22O4 — CID 65162887

IUPAC[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
SMILESCOc1ccc(CO)c(OCCCC2CCCO2)c1
InChIInChI=1S/C15H22O4/c1-17-14-7-6-12(11-16)15(10-14)19-9-3-5-13-4-2-8-18-13/h6-7,10,13,16H,2-5,8-9,11H2,1H3
InChIKeyIRQBCWGTUBSZPX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.53
Rot. Bonds7

About [4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol

[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol (PubChem CID 65162887) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
PubChem CID65162887
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
SMILESCOc1ccc(CO)c(OCCCC2CCCO2)c1
InChIInChI=1S/C15H22O4/c1-17-14-7-6-12(11-16)15(10-14)19-9-3-5-13-4-2-8-18-13/h6-7,10,13,16H,2-5,8-9,11H2,1H3
InChIKeyIRQBCWGTUBSZPX-UHFFFAOYSA-N
XLogP2.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65163081
[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 61267945
[2-[2-(oxolan-2-yl)ethoxy]-4-propoxyphenyl]methanol
CID 65163131
(1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
CID 82001183
1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine
CID 65158967
(NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine
CID 82003088
(NE)-N-[1-[4-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 82002078
3-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]prop-2-yn-1-amine
CID 104706850
[5-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 43591968
5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159007
3-methoxy-4-[3-(oxolan-2-yl)propoxy]benzenecarbothioamide
CID 65160952
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol?
The IUPAC name of [4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol (CID 65162887) is [4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol.
What is the SMILES notation for [4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol?
The canonical SMILES for [4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol is COc1ccc(CO)c(OCCCC2CCCO2)c1.
What is the InChIKey of [4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol?
The InChIKey is IRQBCWGTUBSZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-17-14-7-6-12(11-16)15(10-14)19-9-3-5-13-4-2-8-18-13/h6-7,10,13,16H,2-5,8-9,11H2,1H3.
What are the key properties of [4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol?
[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol has a molecular weight of 266.34 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol is sourced from PubChem (CID 65162887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).