3-amino-1,2,5,6-tetrahydrochrysen-1-ol

C18H17NO — CID 174294829

IUPAC3-amino-1,2,5,6-tetrahydrochrysen-1-ol
SMILESNC1=Cc2c(ccc3c2CCc2ccccc2-3)C(O)C1
InChIInChI=1S/C18H17NO/c19-12-9-17-15-6-5-11-3-1-2-4-13(11)14(15)7-8-16(17)18(20)10-12/h1-4,7-9,18,20H,5-6,10,19H2
InChIKeyPCPCZNXZHQPCKH-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.19
Rot. Bonds

About 3-amino-1,2,5,6-tetrahydrochrysen-1-ol

3-amino-1,2,5,6-tetrahydrochrysen-1-ol (PubChem CID 174294829) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-1,2,5,6-tetrahydrochrysen-1-ol.

Molecular Properties

Compound Name3-amino-1,2,5,6-tetrahydrochrysen-1-ol
PubChem CID174294829
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name3-amino-1,2,5,6-tetrahydrochrysen-1-ol
SMILESNC1=Cc2c(ccc3c2CCc2ccccc2-3)C(O)C1
InChIInChI=1S/C18H17NO/c19-12-9-17-15-6-5-11-3-1-2-4-13(11)14(15)7-8-16(17)18(20)10-12/h1-4,7-9,18,20H,5-6,10,19H2
InChIKeyPCPCZNXZHQPCKH-UHFFFAOYSA-N
XLogP3.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,2,5,6-tetrahydrochrysen-1-ol?
The IUPAC name of 3-amino-1,2,5,6-tetrahydrochrysen-1-ol (CID 174294829) is 3-amino-1,2,5,6-tetrahydrochrysen-1-ol.
What is the SMILES notation for 3-amino-1,2,5,6-tetrahydrochrysen-1-ol?
The canonical SMILES for 3-amino-1,2,5,6-tetrahydrochrysen-1-ol is NC1=Cc2c(ccc3c2CCc2ccccc2-3)C(O)C1.
What is the InChIKey of 3-amino-1,2,5,6-tetrahydrochrysen-1-ol?
The InChIKey is PCPCZNXZHQPCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c19-12-9-17-15-6-5-11-3-1-2-4-13(11)14(15)7-8-16(17)18(20)10-12/h1-4,7-9,18,20H,5-6,10,19H2.
What are the key properties of 3-amino-1,2,5,6-tetrahydrochrysen-1-ol?
3-amino-1,2,5,6-tetrahydrochrysen-1-ol has a molecular weight of 263.34 g/mol, XLogP of 3.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2,5,6-tetrahydrochrysen-1-ol is sourced from PubChem (CID 174294829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).