[4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol

C23H30O3 — CID 147383497

IUPAC[4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol
SMILESCCC(Cc1ccc(-c2ccc(CO)cc2)cc1)OCC1(CC)COC1
InChIInChI=1S/C23H30O3/c1-3-22(26-17-23(4-2)15-25-16-23)13-18-5-9-20(10-6-18)21-11-7-19(14-24)8-12-21/h5-12,22,24H,3-4,13-17H2,1-2H3
InChIKeyDLLJQRZREMLIBB-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.61
Rot. Bonds9

About [4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol

[4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol (PubChem CID 147383497) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is [4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol
PubChem CID147383497
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name[4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol
SMILESCCC(Cc1ccc(-c2ccc(CO)cc2)cc1)OCC1(CC)COC1
InChIInChI=1S/C23H30O3/c1-3-22(26-17-23(4-2)15-25-16-23)13-18-5-9-20(10-6-18)21-11-7-19(14-24)8-12-21/h5-12,22,24H,3-4,13-17H2,1-2H3
InChIKeyDLLJQRZREMLIBB-UHFFFAOYSA-N
XLogP4.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol?
The IUPAC name of [4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol (CID 147383497) is [4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol.
What is the SMILES notation for [4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol?
The canonical SMILES for [4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol is CCC(Cc1ccc(-c2ccc(CO)cc2)cc1)OCC1(CC)COC1.
What is the InChIKey of [4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol?
The InChIKey is DLLJQRZREMLIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3/c1-3-22(26-17-23(4-2)15-25-16-23)13-18-5-9-20(10-6-18)21-11-7-19(14-24)8-12-21/h5-12,22,24H,3-4,13-17H2,1-2H3.
What are the key properties of [4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol?
[4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol has a molecular weight of 354.49 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-[(3-ethyloxetan-3-yl)methoxy]butyl]phenyl]phenyl]methanol is sourced from PubChem (CID 147383497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).