(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol

C16H18O3 — CID 63364701

IUPAC(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
SMILESCOc1cc([C@H](C)O)ccc1OCc1ccccc1
InChIInChI=1S/C16H18O3/c1-12(17)14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3/t12-/m0/s1
InChIKeyRRSBSGOQENSWPE-LBPRGKRZSA-N
MW258.32 g/mol
LogP3.33
Rot. Bonds5

About (1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol

(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol (PubChem CID 63364701) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
PubChem CID63364701
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
SMILESCOc1cc([C@H](C)O)ccc1OCc1ccccc1
InChIInChI=1S/C16H18O3/c1-12(17)14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3/t12-/m0/s1
InChIKeyRRSBSGOQENSWPE-LBPRGKRZSA-N
XLogP3.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
(1R)-1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931656
(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
CID 129384165
1-(3-methoxy-4-phenylmethoxyphenyl)prop-2-yn-1-ol
CID 15888378
3-amino-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 170829202
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171234157
1-[3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881584
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
CID 83951248

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol?
The IUPAC name of (1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol (CID 63364701) is (1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol is COc1cc([C@H](C)O)ccc1OCc1ccccc1.
What is the InChIKey of (1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol?
The InChIKey is RRSBSGOQENSWPE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18O3/c1-12(17)14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol?
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol has a molecular weight of 258.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 63364701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).