anthracen-9-yloxymethanol

C15H12O2 — CID 177108126

IUPACanthracen-9-yloxymethanol
SMILESOCOc1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H12O2/c16-10-17-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2
InChIKeyBKUTWXCRBXMEFJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.32
Rot. Bonds2

About anthracen-9-yloxymethanol

anthracen-9-yloxymethanol (PubChem CID 177108126) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is anthracen-9-yloxymethanol.

Molecular Properties

Compound Nameanthracen-9-yloxymethanol
PubChem CID177108126
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Nameanthracen-9-yloxymethanol
SMILESOCOc1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H12O2/c16-10-17-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2
InChIKeyBKUTWXCRBXMEFJ-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-anthracen-9-yloxypropane-1,2-diol
CID 139994732
boric acid;9-ethoxyanthracene
CID 175362289
benzene;naphthalen-1-yloxymethanol
CID 70447137
9-(9-chlorononoxy)anthracene
CID 21280847
4-anthracen-9-yloxybutan-1-amine
CID 14373236
3-anthracen-9-yloxypropan-1-amine;sulfuric acid
CID 21280798
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
anthracene;ethane-1,2-diol
CID 158405305
1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 11843223
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
naphtho[1,2-b]phenanthrene
CID 5889
anthracene;naphthalene;phenanthrene
CID 158591187

Frequently Asked Questions

What is the IUPAC name of anthracen-9-yloxymethanol?
The IUPAC name of anthracen-9-yloxymethanol (CID 177108126) is anthracen-9-yloxymethanol.
What is the SMILES notation for anthracen-9-yloxymethanol?
The canonical SMILES for anthracen-9-yloxymethanol is OCOc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-yloxymethanol?
The InChIKey is BKUTWXCRBXMEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c16-10-17-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2.
What are the key properties of anthracen-9-yloxymethanol?
anthracen-9-yloxymethanol has a molecular weight of 224.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-yloxymethanol is sourced from PubChem (CID 177108126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).