anthracen-2-yl(phenyl)methanol

C21H16O — CID 15685338

IUPACanthracen-2-yl(phenyl)methanol
SMILESOC(c1ccccc1)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C21H16O/c22-21(15-6-2-1-3-7-15)19-11-10-18-12-16-8-4-5-9-17(16)13-20(18)14-19/h1-14,21-22H
InChIKeyAKPBFMDOVGLMDT-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.07
Rot. Bonds2

About anthracen-2-yl(phenyl)methanol

anthracen-2-yl(phenyl)methanol (PubChem CID 15685338) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is anthracen-2-yl(phenyl)methanol.

Molecular Properties

Compound Nameanthracen-2-yl(phenyl)methanol
PubChem CID15685338
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Nameanthracen-2-yl(phenyl)methanol
SMILESOC(c1ccccc1)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C21H16O/c22-21(15-6-2-1-3-7-15)19-11-10-18-12-16-8-4-5-9-17(16)13-20(18)14-19/h1-14,21-22H
InChIKeyAKPBFMDOVGLMDT-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
naphthalen-2-ylmethanediol
CID 22496827
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
1H-indol-5-yl(phenyl)methanol
CID 19042833
2-propan-2-ylpentacene
CID 153380535
(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 61099330
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
(4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol
CID 114329794
(1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol
CID 10802720
amino(naphthalen-2-yl)methanol
CID 57110079
1-naphthalen-2-ylprop-2-en-1-ol
CID 10921194
1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol
CID 163739706

Frequently Asked Questions

What is the IUPAC name of anthracen-2-yl(phenyl)methanol?
The IUPAC name of anthracen-2-yl(phenyl)methanol (CID 15685338) is anthracen-2-yl(phenyl)methanol.
What is the SMILES notation for anthracen-2-yl(phenyl)methanol?
The canonical SMILES for anthracen-2-yl(phenyl)methanol is OC(c1ccccc1)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracen-2-yl(phenyl)methanol?
The InChIKey is AKPBFMDOVGLMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c22-21(15-6-2-1-3-7-15)19-11-10-18-12-16-8-4-5-9-17(16)13-20(18)14-19/h1-14,21-22H.
What are the key properties of anthracen-2-yl(phenyl)methanol?
anthracen-2-yl(phenyl)methanol has a molecular weight of 284.36 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-2-yl(phenyl)methanol is sourced from PubChem (CID 15685338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).