7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol

C20H26O4 — CID 165355377

IUPAC7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol
SMILESCOc1ccc(C(O)CCCC(O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C20H26O4/c1-24-19-13-8-16(9-14-19)20(23)4-2-3-17(21)10-5-15-6-11-18(22)12-7-15/h6-9,11-14,17,20-23H,2-5,10H2,1H3
InChIKeyJXXKDKDHJQUNMF-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.60
Rot. Bonds9

About 7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol

7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol (PubChem CID 165355377) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol
PubChem CID165355377
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol
SMILESCOc1ccc(C(O)CCCC(O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C20H26O4/c1-24-19-13-8-16(9-14-19)20(23)4-2-3-17(21)10-5-15-6-11-18(22)12-7-15/h6-9,11-14,17,20-23H,2-5,10H2,1H3
InChIKeyJXXKDKDHJQUNMF-UHFFFAOYSA-N
XLogP3.60
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7,7,7-trifluoro-1-(4-methoxyphenyl)heptan-3-ol
CID 115828386
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
1-(4-methoxyphenyl)oct-7-yn-3-ol
CID 115831828
4-[5-(4-methoxyphenyl)pent-1-en-3-yl]phenol
CID 143987033
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol
CID 154712075
[4-[(3R)-3-hydroxy-7-(4-methoxyphenyl)heptyl]phenyl] acetate
CID 46918951
4-[1-hydroxy-2-(4-methoxyphenoxy)ethyl]phenol
CID 117244685
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
CID 63016896

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol?
The IUPAC name of 7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol (CID 165355377) is 7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol.
What is the SMILES notation for 7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol?
The canonical SMILES for 7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol is COc1ccc(C(O)CCCC(O)CCc2ccc(O)cc2)cc1.
What is the InChIKey of 7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol?
The InChIKey is JXXKDKDHJQUNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-24-19-13-8-16(9-14-19)20(23)4-2-3-17(21)10-5-15-6-11-18(22)12-7-15/h6-9,11-14,17,20-23H,2-5,10H2,1H3.
What are the key properties of 7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol?
7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol has a molecular weight of 330.42 g/mol, XLogP of 3.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol is sourced from PubChem (CID 165355377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).