[5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate

C18H24O5 — CID 70494656

IUPAC[5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate
SMILESCOc1ccccc1OC(=O)OC1CC(C(C)(C)O)CC=C1C
InChIInChI=1S/C18H24O5/c1-12-9-10-13(18(2,3)20)11-16(12)23-17(19)22-15-8-6-5-7-14(15)21-4/h5-9,13,16,20H,10-11H2,1-4H3
InChIKeyMUGDRFUOTBOKJN-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.71
Rot. Bonds4

About [5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate

[5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate (PubChem CID 70494656) has the molecular formula C18H24O5 and a molecular weight of 320.38 g/mol. Its IUPAC name is [5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate.

Molecular Properties

Compound Name[5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate
PubChem CID70494656
Molecular FormulaC18H24O5
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Name[5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate
SMILESCOc1ccccc1OC(=O)OC1CC(C(C)(C)O)CC=C1C
InChIInChI=1S/C18H24O5/c1-12-9-10-13(18(2,3)20)11-16(12)23-17(19)22-15-8-6-5-7-14(15)21-4/h5-9,13,16,20H,10-11H2,1-4H3
InChIKeyMUGDRFUOTBOKJN-UHFFFAOYSA-N
XLogP3.71
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate
CID 78777290
(2-methoxyphenyl) 2,2,2-trifluoroacetate
CID 613204
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
[2-methyl-5-[2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]cyclohex-2-en-1-yl] 4-methylbenzoate
CID 59482820
(2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate
CID 110671040
2-[(1R,6R)-6-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 46844981
ethane;(2-methoxyphenyl) 2-tert-butylbenzoate
CID 118040465
(2-methoxyphenyl) prop-2-enoate
CID 22987486
(2-methoxyphenyl) 2-methoxyacetate
CID 53423767
2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide
CID 22287395

Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate?
The IUPAC name of [5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate (CID 70494656) is [5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate.
What is the SMILES notation for [5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate?
The canonical SMILES for [5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate is COc1ccccc1OC(=O)OC1CC(C(C)(C)O)CC=C1C.
What is the InChIKey of [5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate?
The InChIKey is MUGDRFUOTBOKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5/c1-12-9-10-13(18(2,3)20)11-16(12)23-17(19)22-15-8-6-5-7-14(15)21-4/h5-9,13,16,20H,10-11H2,1-4H3.
What are the key properties of [5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate?
[5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate has a molecular weight of 320.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] (2-methoxyphenyl) carbonate is sourced from PubChem (CID 70494656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).