1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol

C23H30O4 — CID 59664378

IUPAC1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1ccc(C(C)(C)c2ccc(OCC3CC3)cc2)cc1
InChIInChI=1S/C23H30O4/c1-23(2,18-6-10-21(11-7-18)26-14-17-4-5-17)19-8-12-22(13-9-19)27-16-20(24)15-25-3/h6-13,17,20,24H,4-5,14-16H2,1-3H3
InChIKeyTZLUKWJEISFBNM-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.19
Rot. Bonds10

About 1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol

1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol (PubChem CID 59664378) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol
PubChem CID59664378
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1ccc(C(C)(C)c2ccc(OCC3CC3)cc2)cc1
InChIInChI=1S/C23H30O4/c1-23(2,18-6-10-21(11-7-18)26-14-17-4-5-17)19-8-12-22(13-9-19)27-16-20(24)15-25-3/h6-13,17,20,24H,4-5,14-16H2,1-3H3
InChIKeyTZLUKWJEISFBNM-UHFFFAOYSA-N
XLogP4.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[4-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20661045
1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol;1-[2,6-dibromo-4-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]phenoxy]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 159997567
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 159105635
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;methane
CID 158673985
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 18728927
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;methanamine
CID 91550774
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-3-propoxypropan-2-ol
CID 101202882
1-ethenoxy-3-[4-[2-[4-(3-ethenoxy-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 69463791
1-[4-[2-[4-(thiiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]butan-2-ol
CID 22975905
1-(4-tert-butylphenoxy)-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;2-[(4-methylphenoxy)methyl]oxirane
CID 159135741

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol (CID 59664378) is 1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol is COCC(O)COc1ccc(C(C)(C)c2ccc(OCC3CC3)cc2)cc1.
What is the InChIKey of 1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol?
The InChIKey is TZLUKWJEISFBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-23(2,18-6-10-21(11-7-18)26-14-17-4-5-17)19-8-12-22(13-9-19)27-16-20(24)15-25-3/h6-13,17,20,24H,4-5,14-16H2,1-3H3.
What are the key properties of 1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol?
1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol has a molecular weight of 370.49 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 59664378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).