1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol

C27H38O7 — CID 58862320

IUPAC1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol
SMILESCOCOc1ccc(C(O)(C(C)C)[C@H]2CCC[C@H]2c2cc(OCOC)ccc2OCOC)cc1
InChIInChI=1S/C27H38O7/c1-19(2)27(28,20-9-11-21(12-10-20)32-16-29-3)25-8-6-7-23(25)24-15-22(33-17-30-4)13-14-26(24)34-18-31-5/h9-15,19,23,25,28H,6-8,16-18H2,1-5H3/t23-,25-,27?/m0/s1
InChIKeySSVXWHCGOIFVEI-HUSGHDHESA-N
MW474.59 g/mol
LogP5.06
Rot. Bonds13

About 1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol

1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol (PubChem CID 58862320) has the molecular formula C27H38O7 and a molecular weight of 474.59 g/mol. Its IUPAC name is 1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol
PubChem CID58862320
Molecular FormulaC27H38O7
Molecular Weight474.59 g/mol
Exact Mass474.26
IUPAC Name1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol
SMILESCOCOc1ccc(C(O)(C(C)C)[C@H]2CCC[C@H]2c2cc(OCOC)ccc2OCOC)cc1
InChIInChI=1S/C27H38O7/c1-19(2)27(28,20-9-11-21(12-10-20)32-16-29-3)25-8-6-7-23(25)24-15-22(33-17-30-4)13-14-26(24)34-18-31-5/h9-15,19,23,25,28H,6-8,16-18H2,1-5H3/t23-,25-,27?/m0/s1
InChIKeySSVXWHCGOIFVEI-HUSGHDHESA-N
XLogP5.06
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.59
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol (CID 58862320) is 1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol is COCOc1ccc(C(O)(C(C)C)[C@H]2CCC[C@H]2c2cc(OCOC)ccc2OCOC)cc1.
What is the InChIKey of 1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol?
The InChIKey is SSVXWHCGOIFVEI-HUSGHDHESA-N. The full InChI is InChI=1S/C27H38O7/c1-19(2)27(28,20-9-11-21(12-10-20)32-16-29-3)25-8-6-7-23(25)24-15-22(33-17-30-4)13-14-26(24)34-18-31-5/h9-15,19,23,25,28H,6-8,16-18H2,1-5H3/t23-,25-,27?/m0/s1.
What are the key properties of 1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol?
1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol has a molecular weight of 474.59 g/mol, XLogP of 5.06, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-[2,5-bis(methoxymethoxy)phenyl]cyclopentyl]-1-[4-(methoxymethoxy)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 58862320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).