1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol

C22H38O4 — CID 139797694

IUPAC1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol
SMILESCCC(C)(C)c1c(OCC(C)O)ccc(OCC(C)O)c1C(C)(C)CC
InChIInChI=1S/C22H38O4/c1-9-21(5,6)19-17(25-13-15(3)23)11-12-18(26-14-16(4)24)20(19)22(7,8)10-2/h11-12,15-16,23-24H,9-10,13-14H2,1-8H3
InChIKeyGKKHKXWAZIWPAY-UHFFFAOYSA-N
MW366.54 g/mol
LogP4.58
Rot. Bonds10

About 1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol

1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol (PubChem CID 139797694) has the molecular formula C22H38O4 and a molecular weight of 366.54 g/mol. Its IUPAC name is 1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol
PubChem CID139797694
Molecular FormulaC22H38O4
Molecular Weight366.54 g/mol
Exact Mass366.28
IUPAC Name1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol
SMILESCCC(C)(C)c1c(OCC(C)O)ccc(OCC(C)O)c1C(C)(C)CC
InChIInChI=1S/C22H38O4/c1-9-21(5,6)19-17(25-13-15(3)23)11-12-18(26-14-16(4)24)20(19)22(7,8)10-2/h11-12,15-16,23-24H,9-10,13-14H2,1-8H3
InChIKeyGKKHKXWAZIWPAY-UHFFFAOYSA-N
XLogP4.58
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.54
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 106933022
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724
1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol
CID 14692873
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol
CID 63326862
4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol
CID 146177386
4-(2-hydroxypropoxy)benzene-1,3-dicarboxylic acid
CID 139699918
1-[2,4-diamino-3-(2-hydroxypropoxy)phenoxy]propan-2-ol
CID 19834644
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
1-[3,5-dibromo-4-[2-[2,6-dibromo-4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 158241678
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 63055789

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol (CID 139797694) is 1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol is CCC(C)(C)c1c(OCC(C)O)ccc(OCC(C)O)c1C(C)(C)CC.
What is the InChIKey of 1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol?
The InChIKey is GKKHKXWAZIWPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O4/c1-9-21(5,6)19-17(25-13-15(3)23)11-12-18(26-14-16(4)24)20(19)22(7,8)10-2/h11-12,15-16,23-24H,9-10,13-14H2,1-8H3.
What are the key properties of 1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol?
1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol has a molecular weight of 366.54 g/mol, XLogP of 4.58, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxypropoxy)-2,3-bis(2-methylbutan-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 139797694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).