2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol

C13H16O3 — CID 19860082

IUPAC2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol
SMILESCOc1cc(C2CC(C)C=CO2)ccc1O
InChIInChI=1S/C13H16O3/c1-9-5-6-16-12(7-9)10-3-4-11(14)13(8-10)15-2/h3-6,8-9,12,14H,7H2,1-2H3
InChIKeyCIRMASJBYOLKNX-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.01
Rot. Bonds2

About 2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol

2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol (PubChem CID 19860082) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol
PubChem CID19860082
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol
SMILESCOc1cc(C2CC(C)C=CO2)ccc1O
InChIInChI=1S/C13H16O3/c1-9-5-6-16-12(7-9)10-3-4-11(14)13(8-10)15-2/h3-6,8-9,12,14H,7H2,1-2H3
InChIKeyCIRMASJBYOLKNX-UHFFFAOYSA-N
XLogP3.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol
CID 134866971
2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
CID 100938571
(2R,4aR,7R,8aR)-2-(4-hydroxy-3-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol
CID 162658423
4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 163003103
2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
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CID 101432518
4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol
CID 82024499
5-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-3-methoxybenzene-1,2-diol
CID 163028163
4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol?
The IUPAC name of 2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol (CID 19860082) is 2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol?
The canonical SMILES for 2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol is COc1cc(C2CC(C)C=CO2)ccc1O.
What is the InChIKey of 2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol?
The InChIKey is CIRMASJBYOLKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9-5-6-16-12(7-9)10-3-4-11(14)13(8-10)15-2/h3-6,8-9,12,14H,7H2,1-2H3.
What are the key properties of 2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol?
2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol has a molecular weight of 220.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol is sourced from PubChem (CID 19860082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).