7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol

C18H20O2 — CID 66798061

IUPAC7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol
SMILESOCCCCc1ccc2c(c1)CCc1cc(O)ccc1-2
InChIInChI=1S/C18H20O2/c19-10-2-1-3-13-4-8-17-14(11-13)5-6-15-12-16(20)7-9-18(15)17/h4,7-9,11-12,19-20H,1-3,5-6,10H2
InChIKeyHYXRFLOIORJQIS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.47
Rot. Bonds4

About 7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol

7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol (PubChem CID 66798061) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol.

Molecular Properties

Compound Name7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol
PubChem CID66798061
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol
SMILESOCCCCc1ccc2c(c1)CCc1cc(O)ccc1-2
InChIInChI=1S/C18H20O2/c19-10-2-1-3-13-4-8-17-14(11-13)5-6-15-12-16(20)7-9-18(15)17/h4,7-9,11-12,19-20H,1-3,5-6,10H2
InChIKeyHYXRFLOIORJQIS-UHFFFAOYSA-N
XLogP3.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol?
The IUPAC name of 7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol (CID 66798061) is 7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol.
What is the SMILES notation for 7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol?
The canonical SMILES for 7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol is OCCCCc1ccc2c(c1)CCc1cc(O)ccc1-2.
What is the InChIKey of 7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol?
The InChIKey is HYXRFLOIORJQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c19-10-2-1-3-13-4-8-17-14(11-13)5-6-15-12-16(20)7-9-18(15)17/h4,7-9,11-12,19-20H,1-3,5-6,10H2.
What are the key properties of 7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol?
7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol has a molecular weight of 268.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxybutyl)-9,10-dihydrophenanthren-2-ol is sourced from PubChem (CID 66798061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).