(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol

C18H22O3 — CID 78947426

IUPAC(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol
SMILESCOc1ccc(C)cc1COc1cc(C)ccc1[C@H](C)O
InChIInChI=1S/C18H22O3/c1-12-6-8-17(20-4)15(9-12)11-21-18-10-13(2)5-7-16(18)14(3)19/h5-10,14,19H,11H2,1-4H3/t14-/m0/s1
InChIKeyWROVAGOEPFUMNK-AWEZNQCLSA-N
MW286.37 g/mol
LogP3.94
Rot. Bonds5

About (1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol

(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol (PubChem CID 78947426) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is (1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol
PubChem CID78947426
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol
SMILESCOc1ccc(C)cc1COc1cc(C)ccc1[C@H](C)O
InChIInChI=1S/C18H22O3/c1-12-6-8-17(20-4)15(9-12)11-21-18-10-13(2)5-7-16(18)14(3)19/h5-10,14,19H,11H2,1-4H3/t14-/m0/s1
InChIKeyWROVAGOEPFUMNK-AWEZNQCLSA-N
XLogP3.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol
CID 63650441
(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol
CID 63364418
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002762
(1R)-1-[2-[(2-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 63366482
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 103046969
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 63364801
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
1-(4-methyl-2-prop-2-enoxyphenyl)ethanol
CID 63651849
(1R)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364799
1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-4-methylphenyl]ethanol
CID 82888130
[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazine
CID 168531004

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol (CID 78947426) is (1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol is COc1ccc(C)cc1COc1cc(C)ccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol?
The InChIKey is WROVAGOEPFUMNK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22O3/c1-12-6-8-17(20-4)15(9-12)11-21-18-10-13(2)5-7-16(18)14(3)19/h5-10,14,19H,11H2,1-4H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol?
(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol has a molecular weight of 286.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol is sourced from PubChem (CID 78947426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).