(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol

C19H24O4 — CID 11034432

IUPAC(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
SMILESOc1ccc(CC[C@@H](O)C[C@H](O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C19H24O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18-23H,5-6,11-13H2/t18-,19-/m1/s1
InChIKeyGZVIQGVWSNEONZ-RTBURBONSA-N
MW316.40 g/mol
LogP2.78
Rot. Bonds8

About (3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol

(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol (PubChem CID 11034432) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol.

Molecular Properties

Compound Name(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
PubChem CID11034432
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
SMILESOc1ccc(CC[C@@H](O)C[C@H](O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C19H24O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18-23H,5-6,11-13H2/t18-,19-/m1/s1
InChIKeyGZVIQGVWSNEONZ-RTBURBONSA-N
XLogP2.78
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol
CID 66690172
4-(3-amino-3-hydroxypropyl)phenol
CID 57225186
4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol
CID 162862536
1-(4-hydroxyphenyl)heptane-3,4-diol
CID 83930457
4-(3,5-dimethyloctyl)phenol
CID 174906830
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
4-(4-hydroxyphenyl)butan-2-yl-trimethylazanium iodide
CID 3026692
(5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol
CID 71094748
4-(3-methylpentyl)phenol
CID 57225129
(E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one
CID 102176225
2-[2-hydroxy-4-(4-hydroxyphenyl)butyl]oxane-3,4,5-triol
CID 75181127
4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol
CID 174651155

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol?
The IUPAC name of (3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol (CID 11034432) is (3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol.
What is the SMILES notation for (3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol?
The canonical SMILES for (3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol is Oc1ccc(CC[C@@H](O)C[C@H](O)CCc2ccc(O)cc2)cc1.
What is the InChIKey of (3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol?
The InChIKey is GZVIQGVWSNEONZ-RTBURBONSA-N. The full InChI is InChI=1S/C19H24O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18-23H,5-6,11-13H2/t18-,19-/m1/s1.
What are the key properties of (3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol?
(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol has a molecular weight of 316.40 g/mol, XLogP of 2.78, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol is sourced from PubChem (CID 11034432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).