2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol

C26H28O2 — CID 12596242

IUPAC2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol
SMILESCOc1cccc2c1C(C)(C)c1ccccc1C2c1ccccc1C(C)(C)O
InChIInChI=1S/C26H28O2/c1-25(2)20-14-8-6-11-17(20)23(19-13-10-16-22(28-5)24(19)25)18-12-7-9-15-21(18)26(3,4)27/h6-16,23,27H,1-5H3
InChIKeyIIYONUMYLMDNMM-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.74
Rot. Bonds3

About 2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol

2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol (PubChem CID 12596242) has the molecular formula C26H28O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol
PubChem CID12596242
Molecular FormulaC26H28O2
Molecular Weight372.51 g/mol
Exact Mass372.21
IUPAC Name2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol
SMILESCOc1cccc2c1C(C)(C)c1ccccc1C2c1ccccc1C(C)(C)O
InChIInChI=1S/C26H28O2/c1-25(2)20-14-8-6-11-17(20)23(19-13-10-16-22(28-5)24(19)25)18-12-7-9-15-21(18)26(3,4)27/h6-16,23,27H,1-5H3
InChIKeyIIYONUMYLMDNMM-UHFFFAOYSA-N
XLogP5.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
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1-(4,5-dimethoxy-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-4,5-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 15362649
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
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CID 126607821
1-[(E)-but-2-en-2-yl]-3,6-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 15148301
9-(2-methoxyphenyl)-9H-fluorene
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(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol (CID 12596242) is 2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol is COc1cccc2c1C(C)(C)c1ccccc1C2c1ccccc1C(C)(C)O.
What is the InChIKey of 2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol?
The InChIKey is IIYONUMYLMDNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O2/c1-25(2)20-14-8-6-11-17(20)23(19-13-10-16-22(28-5)24(19)25)18-12-7-9-15-21(18)26(3,4)27/h6-16,23,27H,1-5H3.
What are the key properties of 2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol?
2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol has a molecular weight of 372.51 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-10,10-dimethyl-9H-anthracen-9-yl)phenyl]propan-2-ol is sourced from PubChem (CID 12596242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).