[4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol

C25H25NO — CID 174460281

IUPAC[4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol
SMILESCN(C)CC1=CC(c2ccc3ccccc3c2-c2ccc(CO)cc2)C=C1
InChIInChI=1S/C25H25NO/c1-26(2)16-19-9-12-22(15-19)24-14-13-20-5-3-4-6-23(20)25(24)21-10-7-18(17-27)8-11-21/h3-15,22,27H,16-17H2,1-2H3
InChIKeyQWUJHPJYXRUZRU-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.14
Rot. Bonds5

About [4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol

[4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol (PubChem CID 174460281) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is [4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol
PubChem CID174460281
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name[4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol
SMILESCN(C)CC1=CC(c2ccc3ccccc3c2-c2ccc(CO)cc2)C=C1
InChIInChI=1S/C25H25NO/c1-26(2)16-19-9-12-22(15-19)24-14-13-20-5-3-4-6-23(20)25(24)21-10-7-18(17-27)8-11-21/h3-15,22,27H,16-17H2,1-2H3
InChIKeyQWUJHPJYXRUZRU-UHFFFAOYSA-N
XLogP5.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol
CID 141067455
1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol
CID 141067090
6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 102520249
CID 15863483
CID 15863483
1-(4-aminophenyl)naphthalen-2-ol
CID 71327010
bis[1-[3-tert-butyl-5-[(dimethylamino)methyl]-4-hydroxyphenyl]naphthalen-2-yl]methanone
CID 54010835
[2-(9H-fluoren-9-yl)naphthalen-1-yl]methanol;titanium(2+);dichloride
CID 87494961
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
1,2-diphenylnaphthalene
CID 11208267
1,2-bis(4-tert-butylphenyl)naphthalene
CID 163894539
(12S)-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-ol
CID 24766854
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol?
The IUPAC name of [4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol (CID 174460281) is [4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol?
The canonical SMILES for [4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol is CN(C)CC1=CC(c2ccc3ccccc3c2-c2ccc(CO)cc2)C=C1.
What is the InChIKey of [4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol?
The InChIKey is QWUJHPJYXRUZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-26(2)16-19-9-12-22(15-19)24-14-13-20-5-3-4-6-23(20)25(24)21-10-7-18(17-27)8-11-21/h3-15,22,27H,16-17H2,1-2H3.
What are the key properties of [4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol?
[4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol has a molecular weight of 355.48 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]phenyl]methanol is sourced from PubChem (CID 174460281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).