7,7-bis(4-hydroxyphenyl)heptane-1,4-diol

C19H24O4 — CID 70141145

IUPAC7,7-bis(4-hydroxyphenyl)heptane-1,4-diol
SMILESOCCCC(O)CCC(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H24O4/c20-13-1-2-16(21)11-12-19(14-3-7-17(22)8-4-14)15-5-9-18(23)10-6-15/h3-10,16,19-23H,1-2,11-13H2
InChIKeyCDQBHZWRPHZPQI-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.14
Rot. Bonds8

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

7,7-bis(4-hydroxyphenyl)heptane-1,4-diol (PubChem CID 70141145) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 7,7-bis(4-hydroxyphenyl)heptane-1,4-diol.

Molecular Properties

Compound Name7,7-bis(4-hydroxyphenyl)heptane-1,4-diol
PubChem CID70141145
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name7,7-bis(4-hydroxyphenyl)heptane-1,4-diol
SMILESOCCCC(O)CCC(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H24O4/c20-13-1-2-16(21)11-12-19(14-3-7-17(22)8-4-14)15-5-9-18(23)10-6-15/h3-10,16,19-23H,1-2,11-13H2
InChIKeyCDQBHZWRPHZPQI-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-bis(4-hydroxyphenyl)heptane-1,4-diol?
The IUPAC name of 7,7-bis(4-hydroxyphenyl)heptane-1,4-diol (CID 70141145) is 7,7-bis(4-hydroxyphenyl)heptane-1,4-diol.
What is the SMILES notation for 7,7-bis(4-hydroxyphenyl)heptane-1,4-diol?
The canonical SMILES for 7,7-bis(4-hydroxyphenyl)heptane-1,4-diol is OCCCC(O)CCC(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 7,7-bis(4-hydroxyphenyl)heptane-1,4-diol?
The InChIKey is CDQBHZWRPHZPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c20-13-1-2-16(21)11-12-19(14-3-7-17(22)8-4-14)15-5-9-18(23)10-6-15/h3-10,16,19-23H,1-2,11-13H2.
What are the key properties of 7,7-bis(4-hydroxyphenyl)heptane-1,4-diol?
7,7-bis(4-hydroxyphenyl)heptane-1,4-diol has a molecular weight of 316.40 g/mol, XLogP of 3.14, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(4-hydroxyphenyl)heptane-1,4-diol is sourced from PubChem (CID 70141145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).