[2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol

C21H23NO — CID 68549929

IUPAC[2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol
SMILESCN(C)CC1=CCC(c2ccccc2-c2ccccc2CO)=C1
InChIInChI=1S/C21H23NO/c1-22(2)14-16-11-12-17(13-16)19-8-5-6-10-21(19)20-9-4-3-7-18(20)15-23/h3-11,13,23H,12,14-15H2,1-2H3
InChIKeyDUVCQBVBFYPRFE-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.12
Rot. Bonds5

About [2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol

[2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol (PubChem CID 68549929) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is [2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol
PubChem CID68549929
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name[2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol
SMILESCN(C)CC1=CCC(c2ccccc2-c2ccccc2CO)=C1
InChIInChI=1S/C21H23NO/c1-22(2)14-16-11-12-17(13-16)19-8-5-6-10-21(19)20-9-4-3-7-18(20)15-23/h3-11,13,23H,12,14-15H2,1-2H3
InChIKeyDUVCQBVBFYPRFE-UHFFFAOYSA-N
XLogP4.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol?
The IUPAC name of [2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol (CID 68549929) is [2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol.
What is the SMILES notation for [2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol?
The canonical SMILES for [2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol is CN(C)CC1=CCC(c2ccccc2-c2ccccc2CO)=C1.
What is the InChIKey of [2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol?
The InChIKey is DUVCQBVBFYPRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-22(2)14-16-11-12-17(13-16)19-8-5-6-10-21(19)20-9-4-3-7-18(20)15-23/h3-11,13,23H,12,14-15H2,1-2H3.
What are the key properties of [2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol?
[2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol has a molecular weight of 305.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol is sourced from PubChem (CID 68549929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).