[(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol

C13H16O2 — CID 149442288

IUPAC[(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol
SMILESOC[C@H]1C=C(COCc2ccccc2)C1
InChIInChI=1S/C13H16O2/c14-8-12-6-13(7-12)10-15-9-11-4-2-1-3-5-11/h1-6,12,14H,7-10H2/t12-/m0/s1
InChIKeyYVZITRXXPXNUSY-LBPRGKRZSA-N
MW204.27 g/mol
LogP2.14
Rot. Bonds5

About [(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol

[(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol (PubChem CID 149442288) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is [(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol
PubChem CID149442288
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name[(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol
SMILESOC[C@H]1C=C(COCc2ccccc2)C1
InChIInChI=1S/C13H16O2/c14-8-12-6-13(7-12)10-15-9-11-4-2-1-3-5-11/h1-6,12,14H,7-10H2/t12-/m0/s1
InChIKeyYVZITRXXPXNUSY-LBPRGKRZSA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol?
The IUPAC name of [(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol (CID 149442288) is [(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol.
What is the SMILES notation for [(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol?
The canonical SMILES for [(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol is OC[C@H]1C=C(COCc2ccccc2)C1.
What is the InChIKey of [(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol?
The InChIKey is YVZITRXXPXNUSY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16O2/c14-8-12-6-13(7-12)10-15-9-11-4-2-1-3-5-11/h1-6,12,14H,7-10H2/t12-/m0/s1.
What are the key properties of [(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol?
[(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol has a molecular weight of 204.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol is sourced from PubChem (CID 149442288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).