(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol

C13H18O3 — CID 63364123

IUPAC(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C13H18O3/c1-10(14)11-4-6-12(7-5-11)16-9-13-3-2-8-15-13/h4-7,10,13-14H,2-3,8-9H2,1H3/t10-,13?/m0/s1
InChIKeyBJOWXJUWWAQOTJ-NKUHCKNESA-N
MW222.28 g/mol
LogP2.30
Rot. Bonds4

About (1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol

(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol (PubChem CID 63364123) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
PubChem CID63364123
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C13H18O3/c1-10(14)11-4-6-12(7-5-11)16-9-13-3-2-8-15-13/h4-7,10,13-14H,2-3,8-9H2,1H3/t10-,13?/m0/s1
InChIKeyBJOWXJUWWAQOTJ-NKUHCKNESA-N
XLogP2.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
2-[(7-propan-2-ylnaphthalen-2-yl)oxymethyl]oxolane
CID 90144658
4-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)ethyl]aniline
CID 54799699
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24690511
(1S)-1-[3-chloro-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 113389965
(1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 107719943
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
2-methyl-N-[[5-(oxolan-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79794373

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol (CID 63364123) is (1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol is C[C@H](O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of (1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol?
The InChIKey is BJOWXJUWWAQOTJ-NKUHCKNESA-N. The full InChI is InChI=1S/C13H18O3/c1-10(14)11-4-6-12(7-5-11)16-9-13-3-2-8-15-13/h4-7,10,13-14H,2-3,8-9H2,1H3/t10-,13?/m0/s1.
What are the key properties of (1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol?
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol has a molecular weight of 222.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 63364123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).