1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol

C14H18O5 — CID 56631557

IUPAC1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
SMILESOC1C=CC(O)(COCc2ccccc2)C(O)C1O
InChIInChI=1S/C14H18O5/c15-11-6-7-14(18,13(17)12(11)16)9-19-8-10-4-2-1-3-5-10/h1-7,11-13,15-18H,8-9H2
InChIKeyMLDCCUCSWJIRCM-UHFFFAOYSA-N
MW266.29 g/mol
LogP-0.41
Rot. Bonds4

About 1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol

1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol (PubChem CID 56631557) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol.

Molecular Properties

Compound Name1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
PubChem CID56631557
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
SMILESOC1C=CC(O)(COCc2ccccc2)C(O)C1O
InChIInChI=1S/C14H18O5/c15-11-6-7-14(18,13(17)12(11)16)9-19-8-10-4-2-1-3-5-10/h1-7,11-13,15-18H,8-9H2
InChIKeyMLDCCUCSWJIRCM-UHFFFAOYSA-N
XLogP-0.41
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene
CID 101105537
(1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol
CID 11048887
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
3,3-bis(phenylmethoxymethyl)azetidine
CID 139666551
2-[1-(phenylmethoxymethyl)cyclopropyl]ethanamine
CID 65480359
CID 66734377
CID 66734377
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol
CID 15473516
1,3-diphenyl-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 135017707
2-phenylmethoxyethane-1,1-diol
CID 59866645

Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol?
The IUPAC name of 1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol (CID 56631557) is 1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol.
What is the SMILES notation for 1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol?
The canonical SMILES for 1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol is OC1C=CC(O)(COCc2ccccc2)C(O)C1O.
What is the InChIKey of 1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol?
The InChIKey is MLDCCUCSWJIRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c15-11-6-7-14(18,13(17)12(11)16)9-19-8-10-4-2-1-3-5-10/h1-7,11-13,15-18H,8-9H2.
What are the key properties of 1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol?
1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol has a molecular weight of 266.29 g/mol, XLogP of -0.41, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol is sourced from PubChem (CID 56631557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).