(1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol

C18H22O3 — CID 78934350

IUPAC(1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OCc2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H22O3/c1-4-17(19)14-6-8-16(9-7-14)21-12-15-11-13(2)5-10-18(15)20-3/h5-11,17,19H,4,12H2,1-3H3/t17-/m0/s1
InChIKeyFFCGNVJUZFKBMP-KRWDZBQOSA-N
MW286.37 g/mol
LogP4.03
Rot. Bonds6

About (1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol

(1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol (PubChem CID 78934350) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is (1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol
PubChem CID78934350
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name(1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OCc2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H22O3/c1-4-17(19)14-6-8-16(9-7-14)21-12-15-11-13(2)5-10-18(15)20-3/h5-11,17,19H,4,12H2,1-3H3/t17-/m0/s1
InChIKeyFFCGNVJUZFKBMP-KRWDZBQOSA-N
XLogP4.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]propan-1-ol
CID 63365402
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine
CID 62156324
(1R)-1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-1-ol
CID 106864374
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
3-[(2-methoxy-5-methylphenyl)methoxy]phenol
CID 62159960
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 43424347
2-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanimidamide
CID 62160967
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol
CID 78947426
4-bromo-2-[(4-butan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 107667675
2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64765116
4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
CID 82354174

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol (CID 78934350) is (1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol is CC[C@H](O)c1ccc(OCc2cc(C)ccc2OC)cc1.
What is the InChIKey of (1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol?
The InChIKey is FFCGNVJUZFKBMP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-17(19)14-6-8-16(9-7-14)21-12-15-11-13(2)5-10-18(15)20-3/h5-11,17,19H,4,12H2,1-3H3/t17-/m0/s1.
What are the key properties of (1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol?
(1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 78934350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).