(5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol

C13H18O3 — CID 175093118

IUPAC(5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol
SMILESCOc1ccc(C)c(C(O)C2CCOC2)c1
InChIInChI=1S/C13H18O3/c1-9-3-4-11(15-2)7-12(9)13(14)10-5-6-16-8-10/h3-4,7,10,13-14H,5-6,8H2,1-2H3
InChIKeyQJILIRCYUQDUMQ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.07
Rot. Bonds3

About (5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol

(5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol (PubChem CID 175093118) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol
PubChem CID175093118
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol
SMILESCOc1ccc(C)c(C(O)C2CCOC2)c1
InChIInChI=1S/C13H18O3/c1-9-3-4-11(15-2)7-12(9)13(14)10-5-6-16-8-10/h3-4,7,10,13-14H,5-6,8H2,1-2H3
InChIKeyQJILIRCYUQDUMQ-UHFFFAOYSA-N
XLogP2.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 61277701
(2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 105480449
oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol
CID 63896019
(5-bromo-2-methylphenyl)-(oxan-3-yl)methanol
CID 107139423
(5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol
CID 63899537
(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
CID 115798171
N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276557
(2-methylfuran-3-yl)-(oxolan-3-yl)methanol
CID 104789574
(2-fluoro-5-methylphenyl)-(oxolan-3-yl)methanol
CID 63893222
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
(3-methoxy-4-pyridinyl)-(oxolan-3-yl)methanol
CID 105066290
2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol
CID 65327756

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol?
The IUPAC name of (5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol (CID 175093118) is (5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol?
The canonical SMILES for (5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol is COc1ccc(C)c(C(O)C2CCOC2)c1.
What is the InChIKey of (5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol?
The InChIKey is QJILIRCYUQDUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-3-4-11(15-2)7-12(9)13(14)10-5-6-16-8-10/h3-4,7,10,13-14H,5-6,8H2,1-2H3.
What are the key properties of (5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol?
(5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol has a molecular weight of 222.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 175093118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).