(3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol

C20H22O2 — CID 58590288

IUPAC(3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol
SMILESCC[C@@H](O)CCOCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H22O2/c1-2-17(21)11-12-22-14-20-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)20/h3-10,13,17,21H,2,11-12,14H2,1H3/t17-/m1/s1
InChIKeyDVBZICNAJFGMBZ-QGZVFWFLSA-N
MW294.39 g/mol
LogP4.67
Rot. Bonds6

About (3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol

(3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol (PubChem CID 58590288) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol.

Molecular Properties

Compound Name(3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol
PubChem CID58590288
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol
SMILESCC[C@@H](O)CCOCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H22O2/c1-2-17(21)11-12-22-14-20-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)20/h3-10,13,17,21H,2,11-12,14H2,1H3/t17-/m1/s1
InChIKeyDVBZICNAJFGMBZ-QGZVFWFLSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol?
The IUPAC name of (3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol (CID 58590288) is (3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol.
What is the SMILES notation for (3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol?
The canonical SMILES for (3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol is CC[C@@H](O)CCOCc1c2ccccc2cc2ccccc12.
What is the InChIKey of (3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol?
The InChIKey is DVBZICNAJFGMBZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22O2/c1-2-17(21)11-12-22-14-20-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)20/h3-10,13,17,21H,2,11-12,14H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol?
(3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol has a molecular weight of 294.39 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(anthracen-9-ylmethoxy)pentan-3-ol is sourced from PubChem (CID 58590288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).