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

C17H18O3 — CID 134866971

IUPAC2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol
SMILESCOc1cc(C2CC(C)Oc3ccccc32)ccc1O
InChIInChI=1S/C17H18O3/c1-11-9-14(13-5-3-4-6-16(13)20-11)12-7-8-15(18)17(10-12)19-2/h3-8,10-11,14,18H,9H2,1-2H3
InChIKeyWEXUPSYNDSFEIZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.70
Rot. Bonds2

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

2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol (PubChem CID 134866971) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol
PubChem CID134866971
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol
SMILESCOc1cc(C2CC(C)Oc3ccccc32)ccc1O
InChIInChI=1S/C17H18O3/c1-11-9-14(13-5-3-4-6-16(13)20-11)12-7-8-15(18)17(10-12)19-2/h3-8,10-11,14,18H,9H2,1-2H3
InChIKeyWEXUPSYNDSFEIZ-UHFFFAOYSA-N
XLogP3.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162670180
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 101088863
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one;methane
CID 145124096
4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol
CID 74818012
2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
CID 100938571
(3aS,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 101432518
(4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949983
(4R)-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydrochromen-2-one
CID 166157644
2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol
CID 86220883
4-[2-(5-chloro-2-hydroxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2-methoxyphenol
CID 135686106
4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 163003103
4-[(2S,3S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 122389430

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol?
The IUPAC name of 2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol (CID 134866971) is 2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol?
The canonical SMILES for 2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol is COc1cc(C2CC(C)Oc3ccccc32)ccc1O.
What is the InChIKey of 2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol?
The InChIKey is WEXUPSYNDSFEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-9-14(13-5-3-4-6-16(13)20-11)12-7-8-15(18)17(10-12)19-2/h3-8,10-11,14,18H,9H2,1-2H3.
What are the key properties of 2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol?
2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol has a molecular weight of 270.33 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol is sourced from PubChem (CID 134866971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).