(7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one

C16H14O2 — CID 10823837

IUPAC(7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one
SMILESO=C1c2cccc3cccc(c23)[C@@]2(O)CCC[C@@H]12
InChIInChI=1S/C16H14O2/c17-15-11-6-1-4-10-5-2-7-12(14(10)11)16(18)9-3-8-13(15)16/h1-2,4-7,13,18H,3,8-9H2/t13-,16-/m0/s1
InChIKeyIAUQEFFGTCZREQ-BBRMVZONSA-N
MW238.29 g/mol
LogP3.02
Rot. Bonds

About (7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one

(7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one (PubChem CID 10823837) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one.

Molecular Properties

Compound Name(7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one
PubChem CID10823837
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one
SMILESO=C1c2cccc3cccc(c23)[C@@]2(O)CCC[C@@H]12
InChIInChI=1S/C16H14O2/c17-15-11-6-1-4-10-5-2-7-12(14(10)11)16(18)9-3-8-13(15)16/h1-2,4-7,13,18H,3,8-9H2/t13-,16-/m0/s1
InChIKeyIAUQEFFGTCZREQ-BBRMVZONSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one?
The IUPAC name of (7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one (CID 10823837) is (7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one.
What is the SMILES notation for (7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one?
The canonical SMILES for (7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one is O=C1c2cccc3cccc(c23)[C@@]2(O)CCC[C@@H]12.
What is the InChIKey of (7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one?
The InChIKey is IAUQEFFGTCZREQ-BBRMVZONSA-N. The full InChI is InChI=1S/C16H14O2/c17-15-11-6-1-4-10-5-2-7-12(14(10)11)16(18)9-3-8-13(15)16/h1-2,4-7,13,18H,3,8-9H2/t13-,16-/m0/s1.
What are the key properties of (7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one?
(7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one has a molecular weight of 238.29 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR,10aR)-10a-hydroxy-7a,8,9,10-tetrahydrocyclopenta[a]phenalen-7-one is sourced from PubChem (CID 10823837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).