(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol

C13H18O3 — CID 82001096

IUPAC(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
SMILESC=C(C)COc1cc(OC)ccc1[C@H](C)O
InChIInChI=1S/C13H18O3/c1-9(2)8-16-13-7-11(15-4)5-6-12(13)10(3)14/h5-7,10,14H,1,8H2,2-4H3/t10-/m0/s1
InChIKeySRCZVEXEFFBXSQ-JTQLQIEISA-N
MW222.28 g/mol
LogP2.70
Rot. Bonds5

About (1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol

(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol (PubChem CID 82001096) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
PubChem CID82001096
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
SMILESC=C(C)COc1cc(OC)ccc1[C@H](C)O
InChIInChI=1S/C13H18O3/c1-9(2)8-16-13-7-11(15-4)5-6-12(13)10(3)14/h5-7,10,14H,1,8H2,2-4H3/t10-/m0/s1
InChIKeySRCZVEXEFFBXSQ-JTQLQIEISA-N
XLogP2.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol
CID 82002087
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]acetamide
CID 82001157
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
CID 82002018
propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate
CID 82002031
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001163
1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene
CID 166445394
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol (CID 82001096) is (1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol is C=C(C)COc1cc(OC)ccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol?
The InChIKey is SRCZVEXEFFBXSQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)8-16-13-7-11(15-4)5-6-12(13)10(3)14/h5-7,10,14H,1,8H2,2-4H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol?
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol has a molecular weight of 222.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol is sourced from PubChem (CID 82001096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).